diff --git a/Chapter03/Predicting_the_Toxicity_of_molecules.ipynb b/Chapter03/Predicting_the_Toxicity_of_molecules.ipynb new file mode 100644 index 0000000..3ea602b --- /dev/null +++ b/Chapter03/Predicting_the_Toxicity_of_molecules.ipynb @@ -0,0 +1,1402 @@ +{ + "nbformat": 4, + "nbformat_minor": 0, + "metadata": { + "colab": { + "name": "Predicting the Toxicity of molecules.ipynb", + "provenance": [] + }, + "kernelspec": { + "name": "python3", + "display_name": "Python 3" + } + }, + "cells": [ + { + "cell_type": "markdown", + "metadata": { + "id": "VxRgQRIQab5c", + "colab_type": "text" + }, + "source": [ + "# **Machine Learning With DeepChem**" + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "kl-hnBUZagxg", + "colab_type": "text" + }, + "source": [ + "# Installing the DeepChem Dependencies" + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "L0RJS8spadEV", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 72 + }, + "outputId": "2f44888f-9e2a-4284-8698-b6d3a0ae0638" + }, + "source": [ + "%tensorflow_version 1.x\n", + "!curl -Lo deepchem_installer.py https://raw.githubusercontent.com/deepchem/deepchem/master/scripts/colab_install.py\n", + "import deepchem_installer" + ], + "execution_count": 5, + "outputs": [ + { + "output_type": "stream", + "text": [ + " % Total % Received % Xferd Average Speed Time Time Time Current\n", + " Dload Upload Total Spent Left Speed\n", + "\r 0 0 0 0 0 0 0 0 --:--:-- --:--:-- --:--:-- 0\r100 3490 100 3490 0 0 50579 0 --:--:-- --:--:-- --:--:-- 50579\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "h_mJ19lSakSY", + "colab_type": "text" + }, + "source": [ + "# Training a model to predict toxicity of molecules" + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "EY8UqpB-ajGU", + "colab_type": "code", + "colab": {} + }, + "source": [ + "import numpy as np" + ], + "execution_count": 7, + "outputs": [] + }, + { + "cell_type": "code", + "metadata": { + "id": "sgcDWuEBa2Df", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 1000 + }, + "outputId": "739a673a-9bb6-49f4-9ab6-a68444e0fb83" + }, + "source": [ + "!wget -c https://repo.anaconda.com/archive/Anaconda3-2019.10-Linux-x86_64.sh\n", + "!chmod +x Anaconda3-2019.10-Linux-x86_64.sh\n", + "!bash ./Anaconda3-2019.10-Linux-x86_64.sh -b -f -p /usr/local\n", + "!conda install -y -c deepchem -c rdkit -c conda-forge -c omnia deepchem-gpu=2.3.0\n", + "import sys\n", + "sys.path.append('/usr/local/lib/python3.7/site-packages/')\n", + "import deepchem as dc" + ], + "execution_count": 8, + "outputs": [ + { + "output_type": "stream", + "text": [ + "--2020-09-20 07:33:21-- https://repo.anaconda.com/archive/Anaconda3-2019.10-Linux-x86_64.sh\n", + "Resolving repo.anaconda.com (repo.anaconda.com)... 104.16.131.3, 104.16.130.3, 2606:4700::6810:8303, ...\n", + "Connecting to repo.anaconda.com (repo.anaconda.com)|104.16.131.3|:443... connected.\n", + "HTTP request sent, awaiting response... 200 OK\n", + "Length: 530308481 (506M) [application/x-sh]\n", + "Saving to: ‘Anaconda3-2019.10-Linux-x86_64.sh’\n", + "\n", + "Anaconda3-2019.10-L 100%[===================>] 505.74M 9.08MB/s in 58s \n", + "\n", + "2020-09-20 07:34:20 (8.75 MB/s) - ‘Anaconda3-2019.10-Linux-x86_64.sh’ saved [530308481/530308481]\n", + "\n", + "PREFIX=/usr/local\n", + "Unpacking payload ...\n", + "Collecting package metadata (current_repodata.json): - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n", + "Solving environment: \\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bdone\n", + "\n", + "## Package Plan ##\n", + "\n", + " environment location: /usr/local\n", + "\n", + " added / updated specs:\n", + " - _ipyw_jlab_nb_ext_conf==0.1.0=py37_0\n", + " - _libgcc_mutex==0.1=main\n", + " - alabaster==0.7.12=py37_0\n", + " - anaconda-client==1.7.2=py37_0\n", + " - anaconda-navigator==1.9.7=py37_0\n", + " - anaconda-project==0.8.3=py_0\n", + " - anaconda==2019.10=py37_0\n", + " - asn1crypto==1.0.1=py37_0\n", + " - astroid==2.3.1=py37_0\n", + " - astropy==3.2.2=py37h7b6447c_0\n", + " - atomicwrites==1.3.0=py37_1\n", + " - attrs==19.2.0=py_0\n", + " - babel==2.7.0=py_0\n", + " - backcall==0.1.0=py37_0\n", + " - backports.functools_lru_cache==1.5=py_2\n", + " - backports.os==0.1.1=py37_0\n", + " - backports.shutil_get_terminal_size==1.0.0=py37_2\n", + " - backports.tempfile==1.0=py_1\n", + " - backports.weakref==1.0.post1=py_1\n", + " - backports==1.0=py_2\n", + " - beautifulsoup4==4.8.0=py37_0\n", + " - bitarray==1.0.1=py37h7b6447c_0\n", + " - bkcharts==0.2=py37_0\n", + " - blas==1.0=mkl\n", + " - bleach==3.1.0=py37_0\n", + " - blosc==1.16.3=hd408876_0\n", + " - bokeh==1.3.4=py37_0\n", + " - boto==2.49.0=py37_0\n", + " - bottleneck==1.2.1=py37h035aef0_1\n", + " - bzip2==1.0.8=h7b6447c_0\n", + " - ca-certificates==2019.8.28=0\n", + " - cairo==1.14.12=h8948797_3\n", + " - certifi==2019.9.11=py37_0\n", + " - cffi==1.12.3=py37h2e261b9_0\n", + " - chardet==3.0.4=py37_1003\n", + " - click==7.0=py37_0\n", + " - cloudpickle==1.2.2=py_0\n", + " - clyent==1.2.2=py37_1\n", + " - colorama==0.4.1=py37_0\n", + " - conda-build==3.18.9=py37_3\n", + " - conda-env==2.6.0=1\n", + " - conda-package-handling==1.6.0=py37h7b6447c_0\n", + " - conda-verify==3.4.2=py_1\n", + " - conda==4.7.12=py37_0\n", + " - contextlib2==0.6.0=py_0\n", + " - cryptography==2.7=py37h1ba5d50_0\n", + " - curl==7.65.3=hbc83047_0\n", + " - cycler==0.10.0=py37_0\n", + " - cython==0.29.13=py37he6710b0_0\n", + " - cytoolz==0.10.0=py37h7b6447c_0\n", + " - dask-core==2.5.2=py_0\n", + " - dask==2.5.2=py_0\n", + " - dbus==1.13.6=h746ee38_0\n", + " - decorator==4.4.0=py37_1\n", + " - defusedxml==0.6.0=py_0\n", + " - distributed==2.5.2=py_0\n", + " - docutils==0.15.2=py37_0\n", + " - entrypoints==0.3=py37_0\n", + " - et_xmlfile==1.0.1=py37_0\n", + " - expat==2.2.6=he6710b0_0\n", + " - fastcache==1.1.0=py37h7b6447c_0\n", + " - filelock==3.0.12=py_0\n", + " - flask==1.1.1=py_0\n", + " - fontconfig==2.13.0=h9420a91_0\n", + " - freetype==2.9.1=h8a8886c_1\n", + " - fribidi==1.0.5=h7b6447c_0\n", + " - fsspec==0.5.2=py_0\n", + " - future==0.17.1=py37_0\n", + " - get_terminal_size==1.0.0=haa9412d_0\n", + " - gevent==1.4.0=py37h7b6447c_0\n", + " - glib==2.56.2=hd408876_0\n", + " - glob2==0.7=py_0\n", + " - gmp==6.1.2=h6c8ec71_1\n", + " - gmpy2==2.0.8=py37h10f8cd9_2\n", + " - graphite2==1.3.13=h23475e2_0\n", + " - greenlet==0.4.15=py37h7b6447c_0\n", + " - gst-plugins-base==1.14.0=hbbd80ab_1\n", + " - gstreamer==1.14.0=hb453b48_1\n", + " - h5py==2.9.0=py37h7918eee_0\n", + " - harfbuzz==1.8.8=hffaf4a1_0\n", + " - hdf5==1.10.4=hb1b8bf9_0\n", + " - heapdict==1.0.1=py_0\n", + " - html5lib==1.0.1=py37_0\n", + " - icu==58.2=h9c2bf20_1\n", + " - idna==2.8=py37_0\n", + " - imageio==2.6.0=py37_0\n", + " - imagesize==1.1.0=py37_0\n", + " - importlib_metadata==0.23=py37_0\n", + " - intel-openmp==2019.4=243\n", + " - ipykernel==5.1.2=py37h39e3cac_0\n", + " - ipython==7.8.0=py37h39e3cac_0\n", + " - ipython_genutils==0.2.0=py37_0\n", + " - ipywidgets==7.5.1=py_0\n", + " - isort==4.3.21=py37_0\n", + " - itsdangerous==1.1.0=py37_0\n", + " - jbig==2.1=hdba287a_0\n", + " - jdcal==1.4.1=py_0\n", + " - jedi==0.15.1=py37_0\n", + " - jeepney==0.4.1=py_0\n", + " - jinja2==2.10.3=py_0\n", + " - joblib==0.13.2=py37_0\n", + " - jpeg==9b=h024ee3a_2\n", + " - json5==0.8.5=py_0\n", + " - jsonschema==3.0.2=py37_0\n", + " - jupyter==1.0.0=py37_7\n", + " - jupyter_client==5.3.3=py37_1\n", + " - jupyter_console==6.0.0=py37_0\n", + " - jupyter_core==4.5.0=py_0\n", + " - jupyterlab==1.1.4=pyhf63ae98_0\n", + " - jupyterlab_server==1.0.6=py_0\n", + " - keyring==18.0.0=py37_0\n", + " - kiwisolver==1.1.0=py37he6710b0_0\n", + " - krb5==1.16.1=h173b8e3_7\n", + " - lazy-object-proxy==1.4.2=py37h7b6447c_0\n", + " - libarchive==3.3.3=h5d8350f_5\n", + " - libcurl==7.65.3=h20c2e04_0\n", + " - libedit==3.1.20181209=hc058e9b_0\n", + " - libffi==3.2.1=hd88cf55_4\n", + " - libgcc-ng==9.1.0=hdf63c60_0\n", + " - libgfortran-ng==7.3.0=hdf63c60_0\n", + " - liblief==0.9.0=h7725739_2\n", + " - libpng==1.6.37=hbc83047_0\n", + " - libsodium==1.0.16=h1bed415_0\n", + " - libssh2==1.8.2=h1ba5d50_0\n", + " - libstdcxx-ng==9.1.0=hdf63c60_0\n", + " - libtiff==4.0.10=h2733197_2\n", + " - libtool==2.4.6=h7b6447c_5\n", + " - libuuid==1.0.3=h1bed415_2\n", + " - libxcb==1.13=h1bed415_1\n", + " - libxml2==2.9.9=hea5a465_1\n", + " - libxslt==1.1.33=h7d1a2b0_0\n", + " - llvmlite==0.29.0=py37hd408876_0\n", + " - locket==0.2.0=py37_1\n", + " - lxml==4.4.1=py37hefd8a0e_0\n", + " - lz4-c==1.8.1.2=h14c3975_0\n", + " - lzo==2.10=h49e0be7_2\n", + " - markupsafe==1.1.1=py37h7b6447c_0\n", + " - matplotlib==3.1.1=py37h5429711_0\n", + " - mccabe==0.6.1=py37_1\n", + " - mistune==0.8.4=py37h7b6447c_0\n", + " - mkl-service==2.3.0=py37he904b0f_0\n", + " - mkl==2019.4=243\n", + " - mkl_fft==1.0.14=py37ha843d7b_0\n", + " - mkl_random==1.1.0=py37hd6b4f25_0\n", + " - mock==3.0.5=py37_0\n", + " - more-itertools==7.2.0=py37_0\n", + " - mpc==1.1.0=h10f8cd9_1\n", + " - mpfr==4.0.1=hdf1c602_3\n", + " - mpmath==1.1.0=py37_0\n", + " - msgpack-python==0.6.1=py37hfd86e86_1\n", + " - multipledispatch==0.6.0=py37_0\n", + " - navigator-updater==0.2.1=py37_0\n", + " - nbconvert==5.6.0=py37_1\n", + " - nbformat==4.4.0=py37_0\n", + " - ncurses==6.1=he6710b0_1\n", + " - networkx==2.3=py_0\n", + " - nltk==3.4.5=py37_0\n", + " - nose==1.3.7=py37_2\n", + " - notebook==6.0.1=py37_0\n", + " - numba==0.45.1=py37h962f231_0\n", + " - numexpr==2.7.0=py37h9e4a6bb_0\n", + " - numpy-base==1.17.2=py37hde5b4d6_0\n", + " - numpy==1.17.2=py37haad9e8e_0\n", + " - numpydoc==0.9.1=py_0\n", + " - olefile==0.46=py37_0\n", + " - openpyxl==3.0.0=py_0\n", + " - openssl==1.1.1d=h7b6447c_2\n", + " - packaging==19.2=py_0\n", + " - pandas==0.25.1=py37he6710b0_0\n", + " - pandoc==2.2.3.2=0\n", + " - pandocfilters==1.4.2=py37_1\n", + " - pango==1.42.4=h049681c_0\n", + " - parso==0.5.1=py_0\n", + " - partd==1.0.0=py_0\n", + " - patchelf==0.9=he6710b0_3\n", + " - path.py==12.0.1=py_0\n", + " - pathlib2==2.3.5=py37_0\n", + " - patsy==0.5.1=py37_0\n", + " - pcre==8.43=he6710b0_0\n", + " - pep8==1.7.1=py37_0\n", + " - pexpect==4.7.0=py37_0\n", + " - pickleshare==0.7.5=py37_0\n", + " - pillow==6.2.0=py37h34e0f95_0\n", + " - pip==19.2.3=py37_0\n", + " - pixman==0.38.0=h7b6447c_0\n", + " - pkginfo==1.5.0.1=py37_0\n", + " - pluggy==0.13.0=py37_0\n", + " - ply==3.11=py37_0\n", + " - prometheus_client==0.7.1=py_0\n", + " - prompt_toolkit==2.0.10=py_0\n", + " - psutil==5.6.3=py37h7b6447c_0\n", + " - ptyprocess==0.6.0=py37_0\n", + " - py-lief==0.9.0=py37h7725739_2\n", + " - py==1.8.0=py37_0\n", + " - pycodestyle==2.5.0=py37_0\n", + " - pycosat==0.6.3=py37h14c3975_0\n", + " - pycparser==2.19=py37_0\n", + " - pycrypto==2.6.1=py37h14c3975_9\n", + " - pycurl==7.43.0.3=py37h1ba5d50_0\n", + " - pyflakes==2.1.1=py37_0\n", + " - pygments==2.4.2=py_0\n", + " - pylint==2.4.2=py37_0\n", + " - pyodbc==4.0.27=py37he6710b0_0\n", + " - pyopenssl==19.0.0=py37_0\n", + " - pyparsing==2.4.2=py_0\n", + " - pyqt==5.9.2=py37h05f1152_2\n", + " - pyrsistent==0.15.4=py37h7b6447c_0\n", + " - pysocks==1.7.1=py37_0\n", + " - pytables==3.5.2=py37h71ec239_1\n", + " - pytest-arraydiff==0.3=py37h39e3cac_0\n", + " - pytest-astropy==0.5.0=py37_0\n", + " - pytest-doctestplus==0.4.0=py_0\n", + " - pytest-openfiles==0.4.0=py_0\n", + " - pytest-remotedata==0.3.2=py37_0\n", + " - pytest==5.2.1=py37_0\n", + " - python-dateutil==2.8.0=py37_0\n", + " - python-libarchive-c==2.8=py37_13\n", + " - python==3.7.4=h265db76_1\n", + " - pytz==2019.3=py_0\n", + " - pywavelets==1.0.3=py37hdd07704_1\n", + " - pyyaml==5.1.2=py37h7b6447c_0\n", + " - pyzmq==18.1.0=py37he6710b0_0\n", + " - qt==5.9.7=h5867ecd_1\n", + " - qtawesome==0.6.0=py_0\n", + " - qtconsole==4.5.5=py_0\n", + " - qtpy==1.9.0=py_0\n", + " - readline==7.0=h7b6447c_5\n", + " - requests==2.22.0=py37_0\n", + " - ripgrep==0.10.0=hc07d326_0\n", + " - rope==0.14.0=py_0\n", + " - ruamel_yaml==0.15.46=py37h14c3975_0\n", + " - scikit-image==0.15.0=py37he6710b0_0\n", + " - scikit-learn==0.21.3=py37hd81dba3_0\n", + " - scipy==1.3.1=py37h7c811a0_0\n", + " - seaborn==0.9.0=py37_0\n", + " - secretstorage==3.1.1=py37_0\n", + " - send2trash==1.5.0=py37_0\n", + " - setuptools==41.4.0=py37_0\n", + " - simplegeneric==0.8.1=py37_2\n", + " - singledispatch==3.4.0.3=py37_0\n", + " - sip==4.19.8=py37hf484d3e_0\n", + " - six==1.12.0=py37_0\n", + " - snappy==1.1.7=hbae5bb6_3\n", + " - snowballstemmer==2.0.0=py_0\n", + " - sortedcollections==1.1.2=py37_0\n", + " - sortedcontainers==2.1.0=py37_0\n", + " - soupsieve==1.9.3=py37_0\n", + " - sphinx==2.2.0=py_0\n", + " - sphinxcontrib-applehelp==1.0.1=py_0\n", + " - sphinxcontrib-devhelp==1.0.1=py_0\n", + " - sphinxcontrib-htmlhelp==1.0.2=py_0\n", + " - sphinxcontrib-jsmath==1.0.1=py_0\n", + " - sphinxcontrib-qthelp==1.0.2=py_0\n", + " - sphinxcontrib-serializinghtml==1.1.3=py_0\n", + " - sphinxcontrib-websupport==1.1.2=py_0\n", + " - sphinxcontrib==1.0=py37_1\n", + " - spyder-kernels==0.5.2=py37_0\n", + " - spyder==3.3.6=py37_0\n", + " - sqlalchemy==1.3.9=py37h7b6447c_0\n", + " - sqlite==3.30.0=h7b6447c_0\n", + " - statsmodels==0.10.1=py37hdd07704_0\n", + " - sympy==1.4=py37_0\n", + " - tbb==2019.4=hfd86e86_0\n", + " - tblib==1.4.0=py_0\n", + " - terminado==0.8.2=py37_0\n", + " - testpath==0.4.2=py37_0\n", + " - tk==8.6.8=hbc83047_0\n", + " - toolz==0.10.0=py_0\n", + " - tornado==6.0.3=py37h7b6447c_0\n", + " - tqdm==4.36.1=py_0\n", + " - traitlets==4.3.3=py37_0\n", + " - unicodecsv==0.14.1=py37_0\n", + " - unixodbc==2.3.7=h14c3975_0\n", + " - urllib3==1.24.2=py37_0\n", + " - wcwidth==0.1.7=py37_0\n", + " - webencodings==0.5.1=py37_1\n", + " - werkzeug==0.16.0=py_0\n", + " - wheel==0.33.6=py37_0\n", + " - widgetsnbextension==3.5.1=py37_0\n", + " - wrapt==1.11.2=py37h7b6447c_0\n", + " - wurlitzer==1.0.3=py37_0\n", + " - xlrd==1.2.0=py37_0\n", + " - xlsxwriter==1.2.1=py_0\n", + " - xlwt==1.3.0=py37_0\n", + " - xz==5.2.4=h14c3975_4\n", + " - yaml==0.1.7=had09818_2\n", + " - zeromq==4.3.1=he6710b0_3\n", + " - zict==1.0.0=py_0\n", + " - zipp==0.6.0=py_0\n", + " - zlib==1.2.11=h7b6447c_3\n", + " - zstd==1.3.7=h0b5b093_0\n", + "\n", + "\n", + "The following NEW packages will be INSTALLED:\n", + "\n", + " _ipyw_jlab_nb_ext~ pkgs/main/linux-64::_ipyw_jlab_nb_ext_conf-0.1.0-py37_0\n", + " _libgcc_mutex pkgs/main/linux-64::_libgcc_mutex-0.1-main\n", + " alabaster pkgs/main/linux-64::alabaster-0.7.12-py37_0\n", + " anaconda pkgs/main/linux-64::anaconda-2019.10-py37_0\n", + " anaconda-client pkgs/main/linux-64::anaconda-client-1.7.2-py37_0\n", + " anaconda-navigator pkgs/main/linux-64::anaconda-navigator-1.9.7-py37_0\n", + " anaconda-project pkgs/main/noarch::anaconda-project-0.8.3-py_0\n", + " asn1crypto pkgs/main/linux-64::asn1crypto-1.0.1-py37_0\n", + " astroid pkgs/main/linux-64::astroid-2.3.1-py37_0\n", + " astropy pkgs/main/linux-64::astropy-3.2.2-py37h7b6447c_0\n", + " atomicwrites pkgs/main/linux-64::atomicwrites-1.3.0-py37_1\n", + " attrs pkgs/main/noarch::attrs-19.2.0-py_0\n", + " babel pkgs/main/noarch::babel-2.7.0-py_0\n", + " backcall pkgs/main/linux-64::backcall-0.1.0-py37_0\n", + " backports pkgs/main/noarch::backports-1.0-py_2\n", + " backports.functoo~ pkgs/main/noarch::backports.functools_lru_cache-1.5-py_2\n", + " backports.os pkgs/main/linux-64::backports.os-0.1.1-py37_0\n", + " backports.shutil_~ pkgs/main/linux-64::backports.shutil_get_terminal_size-1.0.0-py37_2\n", + " backports.tempfile pkgs/main/noarch::backports.tempfile-1.0-py_1\n", + " backports.weakref pkgs/main/noarch::backports.weakref-1.0.post1-py_1\n", + " beautifulsoup4 pkgs/main/linux-64::beautifulsoup4-4.8.0-py37_0\n", + " bitarray pkgs/main/linux-64::bitarray-1.0.1-py37h7b6447c_0\n", + " bkcharts pkgs/main/linux-64::bkcharts-0.2-py37_0\n", + " blas pkgs/main/linux-64::blas-1.0-mkl\n", + " bleach pkgs/main/linux-64::bleach-3.1.0-py37_0\n", + " blosc pkgs/main/linux-64::blosc-1.16.3-hd408876_0\n", + " bokeh pkgs/main/linux-64::bokeh-1.3.4-py37_0\n", + " boto pkgs/main/linux-64::boto-2.49.0-py37_0\n", + " bottleneck pkgs/main/linux-64::bottleneck-1.2.1-py37h035aef0_1\n", + " bzip2 pkgs/main/linux-64::bzip2-1.0.8-h7b6447c_0\n", + " ca-certificates pkgs/main/linux-64::ca-certificates-2019.8.28-0\n", + " cairo pkgs/main/linux-64::cairo-1.14.12-h8948797_3\n", + " certifi pkgs/main/linux-64::certifi-2019.9.11-py37_0\n", + " cffi pkgs/main/linux-64::cffi-1.12.3-py37h2e261b9_0\n", + " chardet pkgs/main/linux-64::chardet-3.0.4-py37_1003\n", + " click pkgs/main/linux-64::click-7.0-py37_0\n", + " cloudpickle pkgs/main/noarch::cloudpickle-1.2.2-py_0\n", + " clyent pkgs/main/linux-64::clyent-1.2.2-py37_1\n", + " colorama pkgs/main/linux-64::colorama-0.4.1-py37_0\n", + " conda pkgs/main/linux-64::conda-4.7.12-py37_0\n", + " conda-build pkgs/main/linux-64::conda-build-3.18.9-py37_3\n", + " conda-env pkgs/main/linux-64::conda-env-2.6.0-1\n", + " conda-package-han~ pkgs/main/linux-64::conda-package-handling-1.6.0-py37h7b6447c_0\n", + " conda-verify pkgs/main/noarch::conda-verify-3.4.2-py_1\n", + " contextlib2 pkgs/main/noarch::contextlib2-0.6.0-py_0\n", + " cryptography pkgs/main/linux-64::cryptography-2.7-py37h1ba5d50_0\n", + " curl pkgs/main/linux-64::curl-7.65.3-hbc83047_0\n", + " cycler pkgs/main/linux-64::cycler-0.10.0-py37_0\n", + " cython pkgs/main/linux-64::cython-0.29.13-py37he6710b0_0\n", + " cytoolz pkgs/main/linux-64::cytoolz-0.10.0-py37h7b6447c_0\n", + " dask pkgs/main/noarch::dask-2.5.2-py_0\n", + " dask-core pkgs/main/noarch::dask-core-2.5.2-py_0\n", + " dbus pkgs/main/linux-64::dbus-1.13.6-h746ee38_0\n", + " decorator pkgs/main/linux-64::decorator-4.4.0-py37_1\n", + " defusedxml pkgs/main/noarch::defusedxml-0.6.0-py_0\n", + " distributed pkgs/main/noarch::distributed-2.5.2-py_0\n", + " docutils pkgs/main/linux-64::docutils-0.15.2-py37_0\n", + " entrypoints pkgs/main/linux-64::entrypoints-0.3-py37_0\n", + " et_xmlfile pkgs/main/linux-64::et_xmlfile-1.0.1-py37_0\n", + " expat pkgs/main/linux-64::expat-2.2.6-he6710b0_0\n", + " fastcache pkgs/main/linux-64::fastcache-1.1.0-py37h7b6447c_0\n", + " filelock pkgs/main/noarch::filelock-3.0.12-py_0\n", + " flask pkgs/main/noarch::flask-1.1.1-py_0\n", + " fontconfig pkgs/main/linux-64::fontconfig-2.13.0-h9420a91_0\n", + " freetype pkgs/main/linux-64::freetype-2.9.1-h8a8886c_1\n", + " fribidi pkgs/main/linux-64::fribidi-1.0.5-h7b6447c_0\n", + " fsspec pkgs/main/noarch::fsspec-0.5.2-py_0\n", + " future pkgs/main/linux-64::future-0.17.1-py37_0\n", + " get_terminal_size pkgs/main/linux-64::get_terminal_size-1.0.0-haa9412d_0\n", + " gevent pkgs/main/linux-64::gevent-1.4.0-py37h7b6447c_0\n", + " glib pkgs/main/linux-64::glib-2.56.2-hd408876_0\n", + " glob2 pkgs/main/noarch::glob2-0.7-py_0\n", + " gmp pkgs/main/linux-64::gmp-6.1.2-h6c8ec71_1\n", + " gmpy2 pkgs/main/linux-64::gmpy2-2.0.8-py37h10f8cd9_2\n", + " graphite2 pkgs/main/linux-64::graphite2-1.3.13-h23475e2_0\n", + " greenlet pkgs/main/linux-64::greenlet-0.4.15-py37h7b6447c_0\n", + " gst-plugins-base pkgs/main/linux-64::gst-plugins-base-1.14.0-hbbd80ab_1\n", + " gstreamer pkgs/main/linux-64::gstreamer-1.14.0-hb453b48_1\n", + " h5py pkgs/main/linux-64::h5py-2.9.0-py37h7918eee_0\n", + " harfbuzz pkgs/main/linux-64::harfbuzz-1.8.8-hffaf4a1_0\n", + " hdf5 pkgs/main/linux-64::hdf5-1.10.4-hb1b8bf9_0\n", + " heapdict pkgs/main/noarch::heapdict-1.0.1-py_0\n", + " html5lib pkgs/main/linux-64::html5lib-1.0.1-py37_0\n", + " icu pkgs/main/linux-64::icu-58.2-h9c2bf20_1\n", + " idna pkgs/main/linux-64::idna-2.8-py37_0\n", + " imageio pkgs/main/linux-64::imageio-2.6.0-py37_0\n", + " imagesize pkgs/main/linux-64::imagesize-1.1.0-py37_0\n", + " importlib_metadata pkgs/main/linux-64::importlib_metadata-0.23-py37_0\n", + " intel-openmp pkgs/main/linux-64::intel-openmp-2019.4-243\n", + " ipykernel pkgs/main/linux-64::ipykernel-5.1.2-py37h39e3cac_0\n", + " ipython pkgs/main/linux-64::ipython-7.8.0-py37h39e3cac_0\n", + " ipython_genutils pkgs/main/linux-64::ipython_genutils-0.2.0-py37_0\n", + " ipywidgets pkgs/main/noarch::ipywidgets-7.5.1-py_0\n", + " isort pkgs/main/linux-64::isort-4.3.21-py37_0\n", + " itsdangerous pkgs/main/linux-64::itsdangerous-1.1.0-py37_0\n", + " jbig pkgs/main/linux-64::jbig-2.1-hdba287a_0\n", + " jdcal pkgs/main/noarch::jdcal-1.4.1-py_0\n", + " jedi pkgs/main/linux-64::jedi-0.15.1-py37_0\n", + " jeepney pkgs/main/noarch::jeepney-0.4.1-py_0\n", + " jinja2 pkgs/main/noarch::jinja2-2.10.3-py_0\n", + " joblib pkgs/main/linux-64::joblib-0.13.2-py37_0\n", + " jpeg pkgs/main/linux-64::jpeg-9b-h024ee3a_2\n", + " json5 pkgs/main/noarch::json5-0.8.5-py_0\n", + " jsonschema pkgs/main/linux-64::jsonschema-3.0.2-py37_0\n", + " jupyter pkgs/main/linux-64::jupyter-1.0.0-py37_7\n", + " jupyter_client pkgs/main/linux-64::jupyter_client-5.3.3-py37_1\n", + " jupyter_console pkgs/main/linux-64::jupyter_console-6.0.0-py37_0\n", + " jupyter_core pkgs/main/noarch::jupyter_core-4.5.0-py_0\n", + " jupyterlab pkgs/main/noarch::jupyterlab-1.1.4-pyhf63ae98_0\n", + " jupyterlab_server pkgs/main/noarch::jupyterlab_server-1.0.6-py_0\n", + " keyring pkgs/main/linux-64::keyring-18.0.0-py37_0\n", + " kiwisolver pkgs/main/linux-64::kiwisolver-1.1.0-py37he6710b0_0\n", + " krb5 pkgs/main/linux-64::krb5-1.16.1-h173b8e3_7\n", + " lazy-object-proxy pkgs/main/linux-64::lazy-object-proxy-1.4.2-py37h7b6447c_0\n", + " libarchive pkgs/main/linux-64::libarchive-3.3.3-h5d8350f_5\n", + " libcurl pkgs/main/linux-64::libcurl-7.65.3-h20c2e04_0\n", + " libedit pkgs/main/linux-64::libedit-3.1.20181209-hc058e9b_0\n", + " libffi pkgs/main/linux-64::libffi-3.2.1-hd88cf55_4\n", + " libgcc-ng pkgs/main/linux-64::libgcc-ng-9.1.0-hdf63c60_0\n", + " libgfortran-ng pkgs/main/linux-64::libgfortran-ng-7.3.0-hdf63c60_0\n", + " liblief pkgs/main/linux-64::liblief-0.9.0-h7725739_2\n", + " libpng pkgs/main/linux-64::libpng-1.6.37-hbc83047_0\n", + " libsodium pkgs/main/linux-64::libsodium-1.0.16-h1bed415_0\n", + " libssh2 pkgs/main/linux-64::libssh2-1.8.2-h1ba5d50_0\n", + " libstdcxx-ng pkgs/main/linux-64::libstdcxx-ng-9.1.0-hdf63c60_0\n", + " libtiff pkgs/main/linux-64::libtiff-4.0.10-h2733197_2\n", + " libtool pkgs/main/linux-64::libtool-2.4.6-h7b6447c_5\n", + " libuuid pkgs/main/linux-64::libuuid-1.0.3-h1bed415_2\n", + " libxcb pkgs/main/linux-64::libxcb-1.13-h1bed415_1\n", + " libxml2 pkgs/main/linux-64::libxml2-2.9.9-hea5a465_1\n", + " libxslt pkgs/main/linux-64::libxslt-1.1.33-h7d1a2b0_0\n", + " llvmlite pkgs/main/linux-64::llvmlite-0.29.0-py37hd408876_0\n", + " locket pkgs/main/linux-64::locket-0.2.0-py37_1\n", + " lxml pkgs/main/linux-64::lxml-4.4.1-py37hefd8a0e_0\n", + " lz4-c pkgs/main/linux-64::lz4-c-1.8.1.2-h14c3975_0\n", + " lzo pkgs/main/linux-64::lzo-2.10-h49e0be7_2\n", + " markupsafe pkgs/main/linux-64::markupsafe-1.1.1-py37h7b6447c_0\n", + " matplotlib pkgs/main/linux-64::matplotlib-3.1.1-py37h5429711_0\n", + " mccabe pkgs/main/linux-64::mccabe-0.6.1-py37_1\n", + " mistune pkgs/main/linux-64::mistune-0.8.4-py37h7b6447c_0\n", + " mkl pkgs/main/linux-64::mkl-2019.4-243\n", + " mkl-service pkgs/main/linux-64::mkl-service-2.3.0-py37he904b0f_0\n", + " mkl_fft pkgs/main/linux-64::mkl_fft-1.0.14-py37ha843d7b_0\n", + " mkl_random pkgs/main/linux-64::mkl_random-1.1.0-py37hd6b4f25_0\n", + " mock pkgs/main/linux-64::mock-3.0.5-py37_0\n", + " more-itertools pkgs/main/linux-64::more-itertools-7.2.0-py37_0\n", + " mpc pkgs/main/linux-64::mpc-1.1.0-h10f8cd9_1\n", + " mpfr pkgs/main/linux-64::mpfr-4.0.1-hdf1c602_3\n", + " mpmath pkgs/main/linux-64::mpmath-1.1.0-py37_0\n", + " msgpack-python pkgs/main/linux-64::msgpack-python-0.6.1-py37hfd86e86_1\n", + " multipledispatch pkgs/main/linux-64::multipledispatch-0.6.0-py37_0\n", + " navigator-updater pkgs/main/linux-64::navigator-updater-0.2.1-py37_0\n", + " nbconvert pkgs/main/linux-64::nbconvert-5.6.0-py37_1\n", + " nbformat pkgs/main/linux-64::nbformat-4.4.0-py37_0\n", + " ncurses pkgs/main/linux-64::ncurses-6.1-he6710b0_1\n", + " networkx pkgs/main/noarch::networkx-2.3-py_0\n", + " nltk pkgs/main/linux-64::nltk-3.4.5-py37_0\n", + " nose pkgs/main/linux-64::nose-1.3.7-py37_2\n", + " notebook pkgs/main/linux-64::notebook-6.0.1-py37_0\n", + " numba pkgs/main/linux-64::numba-0.45.1-py37h962f231_0\n", + " numexpr pkgs/main/linux-64::numexpr-2.7.0-py37h9e4a6bb_0\n", + " numpy pkgs/main/linux-64::numpy-1.17.2-py37haad9e8e_0\n", + " numpy-base pkgs/main/linux-64::numpy-base-1.17.2-py37hde5b4d6_0\n", + " numpydoc pkgs/main/noarch::numpydoc-0.9.1-py_0\n", + " olefile pkgs/main/linux-64::olefile-0.46-py37_0\n", + " openpyxl pkgs/main/noarch::openpyxl-3.0.0-py_0\n", + " openssl pkgs/main/linux-64::openssl-1.1.1d-h7b6447c_2\n", + " packaging pkgs/main/noarch::packaging-19.2-py_0\n", + " pandas pkgs/main/linux-64::pandas-0.25.1-py37he6710b0_0\n", + " pandoc pkgs/main/linux-64::pandoc-2.2.3.2-0\n", + " pandocfilters pkgs/main/linux-64::pandocfilters-1.4.2-py37_1\n", + " pango pkgs/main/linux-64::pango-1.42.4-h049681c_0\n", + " parso pkgs/main/noarch::parso-0.5.1-py_0\n", + " partd pkgs/main/noarch::partd-1.0.0-py_0\n", + " patchelf pkgs/main/linux-64::patchelf-0.9-he6710b0_3\n", + " path.py pkgs/main/noarch::path.py-12.0.1-py_0\n", + " pathlib2 pkgs/main/linux-64::pathlib2-2.3.5-py37_0\n", + " patsy pkgs/main/linux-64::patsy-0.5.1-py37_0\n", + " pcre pkgs/main/linux-64::pcre-8.43-he6710b0_0\n", + " pep8 pkgs/main/linux-64::pep8-1.7.1-py37_0\n", + " pexpect pkgs/main/linux-64::pexpect-4.7.0-py37_0\n", + " pickleshare pkgs/main/linux-64::pickleshare-0.7.5-py37_0\n", + " pillow pkgs/main/linux-64::pillow-6.2.0-py37h34e0f95_0\n", + " pip pkgs/main/linux-64::pip-19.2.3-py37_0\n", + " pixman pkgs/main/linux-64::pixman-0.38.0-h7b6447c_0\n", + " pkginfo pkgs/main/linux-64::pkginfo-1.5.0.1-py37_0\n", + " pluggy pkgs/main/linux-64::pluggy-0.13.0-py37_0\n", + " ply pkgs/main/linux-64::ply-3.11-py37_0\n", + " prometheus_client pkgs/main/noarch::prometheus_client-0.7.1-py_0\n", + " prompt_toolkit pkgs/main/noarch::prompt_toolkit-2.0.10-py_0\n", + " psutil pkgs/main/linux-64::psutil-5.6.3-py37h7b6447c_0\n", + " ptyprocess pkgs/main/linux-64::ptyprocess-0.6.0-py37_0\n", + " py pkgs/main/linux-64::py-1.8.0-py37_0\n", + " py-lief pkgs/main/linux-64::py-lief-0.9.0-py37h7725739_2\n", + " pycodestyle pkgs/main/linux-64::pycodestyle-2.5.0-py37_0\n", + " pycosat pkgs/main/linux-64::pycosat-0.6.3-py37h14c3975_0\n", + " pycparser pkgs/main/linux-64::pycparser-2.19-py37_0\n", + " pycrypto pkgs/main/linux-64::pycrypto-2.6.1-py37h14c3975_9\n", + " pycurl pkgs/main/linux-64::pycurl-7.43.0.3-py37h1ba5d50_0\n", + " pyflakes pkgs/main/linux-64::pyflakes-2.1.1-py37_0\n", + " pygments pkgs/main/noarch::pygments-2.4.2-py_0\n", + " pylint pkgs/main/linux-64::pylint-2.4.2-py37_0\n", + " pyodbc pkgs/main/linux-64::pyodbc-4.0.27-py37he6710b0_0\n", + " pyopenssl pkgs/main/linux-64::pyopenssl-19.0.0-py37_0\n", + " pyparsing pkgs/main/noarch::pyparsing-2.4.2-py_0\n", + " pyqt pkgs/main/linux-64::pyqt-5.9.2-py37h05f1152_2\n", + " pyrsistent pkgs/main/linux-64::pyrsistent-0.15.4-py37h7b6447c_0\n", + " pysocks pkgs/main/linux-64::pysocks-1.7.1-py37_0\n", + " pytables pkgs/main/linux-64::pytables-3.5.2-py37h71ec239_1\n", + " pytest pkgs/main/linux-64::pytest-5.2.1-py37_0\n", + " pytest-arraydiff pkgs/main/linux-64::pytest-arraydiff-0.3-py37h39e3cac_0\n", + " pytest-astropy pkgs/main/linux-64::pytest-astropy-0.5.0-py37_0\n", + " pytest-doctestplus pkgs/main/noarch::pytest-doctestplus-0.4.0-py_0\n", + " pytest-openfiles pkgs/main/noarch::pytest-openfiles-0.4.0-py_0\n", + " pytest-remotedata pkgs/main/linux-64::pytest-remotedata-0.3.2-py37_0\n", + " python pkgs/main/linux-64::python-3.7.4-h265db76_1\n", + " python-dateutil pkgs/main/linux-64::python-dateutil-2.8.0-py37_0\n", + " python-libarchive~ pkgs/main/linux-64::python-libarchive-c-2.8-py37_13\n", + " pytz pkgs/main/noarch::pytz-2019.3-py_0\n", + " pywavelets pkgs/main/linux-64::pywavelets-1.0.3-py37hdd07704_1\n", + " pyyaml pkgs/main/linux-64::pyyaml-5.1.2-py37h7b6447c_0\n", + " pyzmq pkgs/main/linux-64::pyzmq-18.1.0-py37he6710b0_0\n", + " qt pkgs/main/linux-64::qt-5.9.7-h5867ecd_1\n", + " qtawesome pkgs/main/noarch::qtawesome-0.6.0-py_0\n", + " qtconsole pkgs/main/noarch::qtconsole-4.5.5-py_0\n", + " qtpy pkgs/main/noarch::qtpy-1.9.0-py_0\n", + " readline pkgs/main/linux-64::readline-7.0-h7b6447c_5\n", + " requests pkgs/main/linux-64::requests-2.22.0-py37_0\n", + " ripgrep pkgs/main/linux-64::ripgrep-0.10.0-hc07d326_0\n", + " rope pkgs/main/noarch::rope-0.14.0-py_0\n", + " ruamel_yaml pkgs/main/linux-64::ruamel_yaml-0.15.46-py37h14c3975_0\n", + " scikit-image pkgs/main/linux-64::scikit-image-0.15.0-py37he6710b0_0\n", + " scikit-learn pkgs/main/linux-64::scikit-learn-0.21.3-py37hd81dba3_0\n", + " scipy pkgs/main/linux-64::scipy-1.3.1-py37h7c811a0_0\n", + " seaborn pkgs/main/linux-64::seaborn-0.9.0-py37_0\n", + " secretstorage pkgs/main/linux-64::secretstorage-3.1.1-py37_0\n", + " send2trash pkgs/main/linux-64::send2trash-1.5.0-py37_0\n", + " setuptools pkgs/main/linux-64::setuptools-41.4.0-py37_0\n", + " simplegeneric pkgs/main/linux-64::simplegeneric-0.8.1-py37_2\n", + " singledispatch pkgs/main/linux-64::singledispatch-3.4.0.3-py37_0\n", + " sip pkgs/main/linux-64::sip-4.19.8-py37hf484d3e_0\n", + " six pkgs/main/linux-64::six-1.12.0-py37_0\n", + " snappy pkgs/main/linux-64::snappy-1.1.7-hbae5bb6_3\n", + " snowballstemmer pkgs/main/noarch::snowballstemmer-2.0.0-py_0\n", + " sortedcollections pkgs/main/linux-64::sortedcollections-1.1.2-py37_0\n", + " sortedcontainers pkgs/main/linux-64::sortedcontainers-2.1.0-py37_0\n", + " soupsieve pkgs/main/linux-64::soupsieve-1.9.3-py37_0\n", + " sphinx pkgs/main/noarch::sphinx-2.2.0-py_0\n", + " sphinxcontrib pkgs/main/linux-64::sphinxcontrib-1.0-py37_1\n", + " sphinxcontrib-app~ pkgs/main/noarch::sphinxcontrib-applehelp-1.0.1-py_0\n", + " sphinxcontrib-dev~ pkgs/main/noarch::sphinxcontrib-devhelp-1.0.1-py_0\n", + " sphinxcontrib-htm~ pkgs/main/noarch::sphinxcontrib-htmlhelp-1.0.2-py_0\n", + " sphinxcontrib-jsm~ pkgs/main/noarch::sphinxcontrib-jsmath-1.0.1-py_0\n", + " sphinxcontrib-qth~ pkgs/main/noarch::sphinxcontrib-qthelp-1.0.2-py_0\n", + " sphinxcontrib-ser~ pkgs/main/noarch::sphinxcontrib-serializinghtml-1.1.3-py_0\n", + " sphinxcontrib-web~ pkgs/main/noarch::sphinxcontrib-websupport-1.1.2-py_0\n", + " spyder pkgs/main/linux-64::spyder-3.3.6-py37_0\n", + " spyder-kernels pkgs/main/linux-64::spyder-kernels-0.5.2-py37_0\n", + " sqlalchemy pkgs/main/linux-64::sqlalchemy-1.3.9-py37h7b6447c_0\n", + " sqlite pkgs/main/linux-64::sqlite-3.30.0-h7b6447c_0\n", + " statsmodels pkgs/main/linux-64::statsmodels-0.10.1-py37hdd07704_0\n", + " sympy pkgs/main/linux-64::sympy-1.4-py37_0\n", + " tbb pkgs/main/linux-64::tbb-2019.4-hfd86e86_0\n", + " tblib pkgs/main/noarch::tblib-1.4.0-py_0\n", + " terminado pkgs/main/linux-64::terminado-0.8.2-py37_0\n", + " testpath pkgs/main/linux-64::testpath-0.4.2-py37_0\n", + " tk pkgs/main/linux-64::tk-8.6.8-hbc83047_0\n", + " toolz pkgs/main/noarch::toolz-0.10.0-py_0\n", + " tornado pkgs/main/linux-64::tornado-6.0.3-py37h7b6447c_0\n", + " tqdm pkgs/main/noarch::tqdm-4.36.1-py_0\n", + " traitlets pkgs/main/linux-64::traitlets-4.3.3-py37_0\n", + " unicodecsv pkgs/main/linux-64::unicodecsv-0.14.1-py37_0\n", + " unixodbc pkgs/main/linux-64::unixodbc-2.3.7-h14c3975_0\n", + " urllib3 pkgs/main/linux-64::urllib3-1.24.2-py37_0\n", + " wcwidth pkgs/main/linux-64::wcwidth-0.1.7-py37_0\n", + " webencodings pkgs/main/linux-64::webencodings-0.5.1-py37_1\n", + " werkzeug pkgs/main/noarch::werkzeug-0.16.0-py_0\n", + " wheel pkgs/main/linux-64::wheel-0.33.6-py37_0\n", + " widgetsnbextension pkgs/main/linux-64::widgetsnbextension-3.5.1-py37_0\n", + " wrapt pkgs/main/linux-64::wrapt-1.11.2-py37h7b6447c_0\n", + " wurlitzer pkgs/main/linux-64::wurlitzer-1.0.3-py37_0\n", + " xlrd pkgs/main/linux-64::xlrd-1.2.0-py37_0\n", + " xlsxwriter pkgs/main/noarch::xlsxwriter-1.2.1-py_0\n", + " xlwt pkgs/main/linux-64::xlwt-1.3.0-py37_0\n", + " xz pkgs/main/linux-64::xz-5.2.4-h14c3975_4\n", + " yaml pkgs/main/linux-64::yaml-0.1.7-had09818_2\n", + " zeromq pkgs/main/linux-64::zeromq-4.3.1-he6710b0_3\n", + " zict pkgs/main/noarch::zict-1.0.0-py_0\n", + " zipp pkgs/main/noarch::zipp-0.6.0-py_0\n", + " zlib pkgs/main/linux-64::zlib-1.2.11-h7b6447c_3\n", + " zstd pkgs/main/linux-64::zstd-1.3.7-h0b5b093_0\n", + "\n", + "\n", + "Preparing transaction: - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n", + "Executing transaction: / \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n", + "installation finished.\n", + "WARNING:\n", + " You currently have a PYTHONPATH environment variable set. This may cause\n", + " unexpected behavior when running the Python interpreter in Anaconda3.\n", + " For best results, please verify that your PYTHONPATH only points to\n", + " directories of packages that are compatible with the Python interpreter\n", + " in Anaconda3: /usr/local\n", + "Collecting package metadata (current_repodata.json): - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n", + "Solving environment: / \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\bfailed with initial frozen solve. Retrying with flexible solve.\n", + "Solving environment: | \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bfailed with repodata from current_repodata.json, will retry with next repodata source.\n", + "Collecting package metadata (repodata.json): - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n", + "Solving environment: / \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n", + "\n", + "\n", + "==> WARNING: A newer version of conda exists. <==\n", + " current version: 4.7.12\n", + " latest version: 4.8.4\n", + "\n", + "Please update conda by running\n", + "\n", + " $ conda update -n base -c defaults conda\n", + "\n", + "\n", + "\n", + "## Package Plan ##\n", + "\n", + " environment location: /usr/local\n", + "\n", + " added / updated specs:\n", + " - deepchem-gpu=2.3.0\n", + "\n", + "\n", + "The following packages will be downloaded:\n", + "\n", + " package | build\n", + " ---------------------------|-----------------\n", + " _py-xgboost-mutex-2.0 | cpu_0 8 KB conda-forge\n", + " _tflow_select-2.1.0 | gpu 2 KB\n", + " absl-py-0.10.0 | py37hc8dfbb8_0 168 KB conda-forge\n", + " astor-0.8.1 | pyh9f0ad1d_0 25 KB conda-forge\n", + " c-ares-1.16.1 | h516909a_3 107 KB conda-forge\n", + " certifi-2019.9.11 | py37_0 147 KB conda-forge\n", + " conda-4.8.5 | py37hc8dfbb8_1 3.0 MB conda-forge\n", + " cudatoolkit-10.1.243 | h6bb024c_0 347.4 MB\n", + " cudnn-7.6.5 | cuda10.1_0 179.9 MB\n", + " cupti-10.1.168 | 0 1.4 MB\n", + " deepchem-gpu-2.3.0 | py37_0 2.1 MB deepchem\n", + " fftw3f-3.3.4 | 2 1.2 MB omnia\n", + " gast-0.4.0 | pyh9f0ad1d_0 12 KB conda-forge\n", + " google-pasta-0.2.0 | pyh8c360ce_0 42 KB conda-forge\n", + " grpcio-1.23.0 | py37hb0870dc_1 1.1 MB conda-forge\n", + " importlib-metadata-1.7.0 | py37hc8dfbb8_0 44 KB conda-forge\n", + " keras-applications-1.0.8 | py_1 30 KB conda-forge\n", + " keras-preprocessing-1.1.0 | py_0 33 KB conda-forge\n", + " libboost-1.67.0 | h46d08c1_4 13.0 MB\n", + " libprotobuf-3.13.0 | h8b12597_0 2.3 MB conda-forge\n", + " libxgboost-1.2.0 | he1b5a44_0 3.1 MB conda-forge\n", + " markdown-3.2.2 | py_0 61 KB conda-forge\n", + " mdtraj-1.9.4 | py37h4112681_0 1.8 MB conda-forge\n", + " openmm-7.4.2 |py37_cuda101_rc_1 11.9 MB omnia\n", + " pdbfixer-1.6 | py37_0 190 KB omnia\n", + " protobuf-3.13.0 | py37h3340039_0 696 KB conda-forge\n", + " py-boost-1.67.0 | py37h04863e7_4 278 KB\n", + " py-xgboost-1.2.0 | py37hc8dfbb8_0 1.7 MB conda-forge\n", + " python_abi-3.7 | 1_cp37m 4 KB conda-forge\n", + " rdkit-2020.03.3.0 | py37hc20afe1_1 24.8 MB rdkit\n", + " simdna-0.4.2 | py_0 627 KB deepchem\n", + " tensorboard-1.14.0 | py37_0 3.2 MB conda-forge\n", + " tensorflow-1.14.0 |gpu_py37h74c33d7_0 4 KB\n", + " tensorflow-base-1.14.0 |gpu_py37he45bfe2_0 146.3 MB\n", + " tensorflow-estimator-1.14.0| py37h5ca1d4c_0 645 KB conda-forge\n", + " tensorflow-gpu-1.14.0 | h0d30ee6_0 3 KB\n", + " termcolor-1.1.0 | py_2 6 KB conda-forge\n", + " xgboost-1.2.0 | py37h3340039_0 11 KB conda-forge\n", + " ------------------------------------------------------------\n", + " Total: 747.3 MB\n", + "\n", + "The following NEW packages will be INSTALLED:\n", + "\n", + " _py-xgboost-mutex conda-forge/linux-64::_py-xgboost-mutex-2.0-cpu_0\n", + " _tflow_select pkgs/main/linux-64::_tflow_select-2.1.0-gpu\n", + " absl-py conda-forge/linux-64::absl-py-0.10.0-py37hc8dfbb8_0\n", + " astor conda-forge/noarch::astor-0.8.1-pyh9f0ad1d_0\n", + " c-ares conda-forge/linux-64::c-ares-1.16.1-h516909a_3\n", + " cudatoolkit pkgs/main/linux-64::cudatoolkit-10.1.243-h6bb024c_0\n", + " cudnn pkgs/main/linux-64::cudnn-7.6.5-cuda10.1_0\n", + " cupti pkgs/main/linux-64::cupti-10.1.168-0\n", + " deepchem-gpu deepchem/linux-64::deepchem-gpu-2.3.0-py37_0\n", + " fftw3f omnia/linux-64::fftw3f-3.3.4-2\n", + " gast conda-forge/noarch::gast-0.4.0-pyh9f0ad1d_0\n", + " google-pasta conda-forge/noarch::google-pasta-0.2.0-pyh8c360ce_0\n", + " grpcio conda-forge/linux-64::grpcio-1.23.0-py37hb0870dc_1\n", + " importlib-metadata conda-forge/linux-64::importlib-metadata-1.7.0-py37hc8dfbb8_0\n", + " keras-applications conda-forge/noarch::keras-applications-1.0.8-py_1\n", + " keras-preprocessi~ conda-forge/noarch::keras-preprocessing-1.1.0-py_0\n", + " libboost pkgs/main/linux-64::libboost-1.67.0-h46d08c1_4\n", + " libprotobuf conda-forge/linux-64::libprotobuf-3.13.0-h8b12597_0\n", + " libxgboost conda-forge/linux-64::libxgboost-1.2.0-he1b5a44_0\n", + " markdown conda-forge/noarch::markdown-3.2.2-py_0\n", + " mdtraj conda-forge/linux-64::mdtraj-1.9.4-py37h4112681_0\n", + " openmm omnia/linux-64::openmm-7.4.2-py37_cuda101_rc_1\n", + " pdbfixer omnia/linux-64::pdbfixer-1.6-py37_0\n", + " protobuf conda-forge/linux-64::protobuf-3.13.0-py37h3340039_0\n", + " py-boost pkgs/main/linux-64::py-boost-1.67.0-py37h04863e7_4\n", + " py-xgboost conda-forge/linux-64::py-xgboost-1.2.0-py37hc8dfbb8_0\n", + " python_abi conda-forge/linux-64::python_abi-3.7-1_cp37m\n", + " rdkit rdkit/linux-64::rdkit-2020.03.3.0-py37hc20afe1_1\n", + " simdna deepchem/noarch::simdna-0.4.2-py_0\n", + " tensorboard conda-forge/linux-64::tensorboard-1.14.0-py37_0\n", + " tensorflow pkgs/main/linux-64::tensorflow-1.14.0-gpu_py37h74c33d7_0\n", + " tensorflow-base pkgs/main/linux-64::tensorflow-base-1.14.0-gpu_py37he45bfe2_0\n", + " tensorflow-estima~ conda-forge/linux-64::tensorflow-estimator-1.14.0-py37h5ca1d4c_0\n", + " tensorflow-gpu pkgs/main/linux-64::tensorflow-gpu-1.14.0-h0d30ee6_0\n", + " termcolor conda-forge/noarch::termcolor-1.1.0-py_2\n", + " xgboost conda-forge/linux-64::xgboost-1.2.0-py37h3340039_0\n", + "\n", + "The following packages will be UPDATED:\n", + "\n", + " conda pkgs/main::conda-4.7.12-py37_0 --> conda-forge::conda-4.8.5-py37hc8dfbb8_1\n", + "\n", + "The following packages will be SUPERSEDED by a higher-priority channel:\n", + "\n", + " certifi pkgs/main --> conda-forge\n", + "\n", + "\n", + "\n", + "Downloading and Extracting Packages\n", + "python_abi-3.7 | 4 KB | : 100% 1.0/1 [00:00<00:00, 15.08it/s]\n", + "mdtraj-1.9.4 | 1.8 MB | : 100% 1.0/1 [00:00<00:00, 2.17it/s]\n", + "cupti-10.1.168 | 1.4 MB | : 100% 1.0/1 [00:00<00:00, 5.23it/s]\n", + "pdbfixer-1.6 | 190 KB | : 100% 1.0/1 [00:02<00:00, 2.45s/it]\n", + "rdkit-2020.03.3.0 | 24.8 MB | : 100% 1.0/1 [00:10<00:00, 10.46s/it]\n", + "tensorflow-1.14.0 | 4 KB | : 100% 1.0/1 [00:00<00:00, 9.77it/s]\n", + "py-boost-1.67.0 | 278 KB | : 100% 1.0/1 [00:00<00:00, 7.65it/s]\n", + "tensorflow-base-1.14 | 146.3 MB | : 100% 1.0/1 [00:10<00:00, 10.21s/it] \n", + "openmm-7.4.2 | 11.9 MB | : 100% 1.0/1 [00:07<00:00, 7.04s/it]\n", + "_py-xgboost-mutex-2. | 8 KB | : 100% 1.0/1 [00:00<00:00, 2.30it/s]\n", + "certifi-2019.9.11 | 147 KB | : 100% 1.0/1 [00:00<00:00, 1.78it/s] \n", + "conda-4.8.5 | 3.0 MB | : 100% 1.0/1 [00:00<00:00, 1.24it/s]\n", + "py-xgboost-1.2.0 | 1.7 MB | : 100% 1.0/1 [00:00<00:00, 15.25s/it] \n", + "deepchem-gpu-2.3.0 | 2.1 MB | : 100% 1.0/1 [00:03<00:00, 3.10s/it]\n", + "_tflow_select-2.1.0 | 2 KB | : 100% 1.0/1 [00:00<00:00, 9.57it/s]\n", + "absl-py-0.10.0 | 168 KB | : 100% 1.0/1 [00:00<00:00, 10.96it/s]\n", + "importlib-metadata-1 | 44 KB | : 100% 1.0/1 [00:00<00:00, 20.29it/s]\n", + "gast-0.4.0 | 12 KB | : 100% 1.0/1 [00:00<00:00, 2.90it/s]\n", + "google-pasta-0.2.0 | 42 KB | : 100% 1.0/1 [00:00<00:00, 3.50it/s] \n", + "libxgboost-1.2.0 | 3.1 MB | : 100% 1.0/1 [00:01<00:00, 1.90s/it] \n", + "markdown-3.2.2 | 61 KB | : 100% 1.0/1 [00:00<00:00, 24.53it/s]\n", + "c-ares-1.16.1 | 107 KB | : 100% 1.0/1 [00:00<00:00, 20.03it/s]\n", + "simdna-0.4.2 | 627 KB | : 100% 1.0/1 [00:02<00:00, 2.93s/it]\n", + "grpcio-1.23.0 | 1.1 MB | : 100% 1.0/1 [00:00<00:00, 3.94it/s]\n", + "fftw3f-3.3.4 | 1.2 MB | : 100% 1.0/1 [00:00<00:00, 1.69it/s]\n", + "termcolor-1.1.0 | 6 KB | : 100% 1.0/1 [00:00<00:00, 27.48it/s]\n", + "xgboost-1.2.0 | 11 KB | : 100% 1.0/1 [00:00<00:00, 3.75it/s]\n", + "tensorboard-1.14.0 | 3.2 MB | : 100% 1.0/1 [00:00<00:00, 1.38it/s]\n", + "cudatoolkit-10.1.243 | 347.4 MB | : 100% 1.0/1 [00:09<00:00, 9.86s/it] \n", + "protobuf-3.13.0 | 696 KB | : 100% 1.0/1 [00:00<00:00, 3.51it/s]\n", + "astor-0.8.1 | 25 KB | : 100% 1.0/1 [00:00<00:00, 32.47it/s]\n", + "keras-preprocessing- | 33 KB | : 100% 1.0/1 [00:00<00:00, 22.98it/s]\n", + "keras-applications-1 | 30 KB | : 100% 1.0/1 [00:00<00:00, 29.55it/s]\n", + "libprotobuf-3.13.0 | 2.3 MB | : 100% 1.0/1 [00:00<00:00, 1.49it/s]\n", + "libboost-1.67.0 | 13.0 MB | : 100% 1.0/1 [00:05<00:00, 5.02s/it] \n", + "tensorflow-gpu-1.14. | 3 KB | : 100% 1.0/1 [00:00<00:00, 3.02it/s]\n", + "cudnn-7.6.5 | 179.9 MB | : 100% 1.0/1 [00:10<00:00, 10.91s/it] \n", + "tensorflow-estimator | 645 KB | : 100% 1.0/1 [00:00<00:00, 9.75s/it] \n", + "Preparing transaction: \\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\bdone\n", + "Verifying transaction: / \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\bdone\n", + "Executing transaction: - \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\b- \b\b\\ \b\b| \b\b/ \b\bdone\n" + ], + "name": "stdout" + }, + { + "output_type": "stream", + "text": [ + "/usr/local/lib/python3.6/dist-packages/sklearn/externals/joblib/__init__.py:15: FutureWarning: sklearn.externals.joblib is deprecated in 0.21 and will be removed in 0.23. Please import this functionality directly from joblib, which can be installed with: pip install joblib. If this warning is raised when loading pickled models, you may need to re-serialize those models with scikit-learn 0.21+.\n", + " warnings.warn(msg, category=FutureWarning)\n" + ], + "name": "stderr" + }, + { + "output_type": "stream", + "text": [ + "WARNING:tensorflow:\n", + "The TensorFlow contrib module will not be included in TensorFlow 2.0.\n", + "For more information, please see:\n", + " * https://github.com/tensorflow/community/blob/master/rfcs/20180907-contrib-sunset.md\n", + " * https://github.com/tensorflow/addons\n", + " * https://github.com/tensorflow/io (for I/O related ops)\n", + "If you depend on functionality not listed there, please file an issue.\n", + "\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "uDdy02GFbnsx", + "colab_type": "code", + "colab": {} + }, + "source": [ + "import numpy as np\n", + "import deepchem as dc" + ], + "execution_count": 9, + "outputs": [] + }, + { + "cell_type": "code", + "metadata": { + "id": "e6jpr9Vddj3p", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 508 + }, + "outputId": "f9260d44-1e92-4849-fb6b-601ab827a5cc" + }, + "source": [ + "tox21_tasks, tox21_datasets, transformers = dc.molnet.load_tox21()" + ], + "execution_count": 10, + "outputs": [ + { + "output_type": "stream", + "text": [ + "Loading raw samples now.\n", + "shard_size: 8192\n", + "About to start loading CSV from /tmp/tox21.csv.gz\n", + "Loading shard 1 of size 8192.\n", + "Featurizing sample 0\n", + "Featurizing sample 1000\n", + "Featurizing sample 2000\n", + "Featurizing sample 3000\n", + "Featurizing sample 4000\n", + "Featurizing sample 5000\n", + "Featurizing sample 6000\n", + "Featurizing sample 7000\n", + "TIMING: featurizing shard 0 took 24.204 s\n", + "TIMING: dataset construction took 24.549 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.409 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.210 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.202 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.336 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.052 s\n", + "Loading dataset from disk.\n", + "TIMING: dataset construction took 0.050 s\n", + "Loading dataset from disk.\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "WzTrxkytdph7", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 235 + }, + "outputId": "b2e50608-cb10-4cb8-d6c5-0e2c68ea6414" + }, + "source": [ + "tox21_tasks" + ], + "execution_count": 11, + "outputs": [ + { + "output_type": "execute_result", + "data": { + "text/plain": [ + "['NR-AR',\n", + " 'NR-AR-LBD',\n", + " 'NR-AhR',\n", + " 'NR-Aromatase',\n", + " 'NR-ER',\n", + " 'NR-ER-LBD',\n", + " 'NR-PPAR-gamma',\n", + " 'SR-ARE',\n", + " 'SR-ATAD5',\n", + " 'SR-HSE',\n", + " 'SR-MMP',\n", + " 'SR-p53']" + ] + }, + "metadata": { + "tags": [] + }, + "execution_count": 11 + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "o5_xuLEhd1H7", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 35 + }, + "outputId": "0190261e-19e5-4d61-9ab2-8673c96bc07d" + }, + "source": [ + "len(tox21_tasks)" + ], + "execution_count": 12, + "outputs": [ + { + "output_type": "execute_result", + "data": { + "text/plain": [ + "12" + ] + }, + "metadata": { + "tags": [] + }, + "execution_count": 12 + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "m8YKnRxyd3BL", + "colab_type": "code", + "colab": {} + }, + "source": [ + "tox21_datasets\n", + "train, valid, test = tox21_datasets" + ], + "execution_count": 13, + "outputs": [] + }, + { + "cell_type": "code", + "metadata": { + "id": "_kHwbVZfd7W0", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 72 + }, + "outputId": "8fc4e317-665f-4739-83f9-cac3bc64110e" + }, + "source": [ + "print(train.X.shape)\n", + "print(valid.X.shape)\n", + "print(test.X.shape)" + ], + "execution_count": 15, + "outputs": [ + { + "output_type": "stream", + "text": [ + "(6264, 1024)\n", + "(783, 1024)\n", + "(784, 1024)\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "e8cdHXJ2eBKi", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 72 + }, + "outputId": "9d5f7220-7dd9-4e78-e152-5a1b9b5ddbeb" + }, + "source": [ + "print(train.y.shape)\n", + "print(valid.y.shape)\n", + "print(test.y.shape)" + ], + "execution_count": 16, + "outputs": [ + { + "output_type": "stream", + "text": [ + "(6264, 12)\n", + "(783, 12)\n", + "(784, 12)\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "WMscVEXkeTh6", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 35 + }, + "outputId": "3b162113-7523-42dd-d814-e7cdc2fa4eff" + }, + "source": [ + "print(train.X.shape)" + ], + "execution_count": 17, + "outputs": [ + { + "output_type": "stream", + "text": [ + "(6264, 1024)\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "dPuKE7AdeacV", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 35 + }, + "outputId": "49f490db-f645-455a-a290-d9f2e0665737" + }, + "source": [ + "np.count_nonzero(train.w)" + ], + "execution_count": 18, + "outputs": [ + { + "output_type": "execute_result", + "data": { + "text/plain": [ + "62166" + ] + }, + "metadata": { + "tags": [] + }, + "execution_count": 18 + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "JDnC8F7EecS4", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 35 + }, + "outputId": "c0125c22-2c89-4cc3-db6d-39feab2648f5" + }, + "source": [ + "np.count_nonzero(train.w==0)" + ], + "execution_count": 19, + "outputs": [ + { + "output_type": "execute_result", + "data": { + "text/plain": [ + "13002" + ] + }, + "metadata": { + "tags": [] + }, + "execution_count": 19 + } + ] + }, + { + "cell_type": "markdown", + "metadata": { + "id": "TnVglxcneiLf", + "colab_type": "text" + }, + "source": [ + "# Modelling" + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "7DLwpkNIed1g", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 92 + }, + "outputId": "95094339-ef9f-465c-d463-bd8a5774a0a4" + }, + "source": [ + "model = dc.models.MultitaskClassifier(n_tasks=12,n_features=1024,layer_sizes=[1000])" + ], + "execution_count": 20, + "outputs": [ + { + "output_type": "stream", + "text": [ + "WARNING:tensorflow:From /tensorflow-1.15.2/python3.6/tensorflow_core/python/ops/resource_variable_ops.py:1630: calling BaseResourceVariable.__init__ (from tensorflow.python.ops.resource_variable_ops) with constraint is deprecated and will be removed in a future version.\n", + "Instructions for updating:\n", + "If using Keras pass *_constraint arguments to layers.\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "iujRuKLsem-7", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 310 + }, + "outputId": "5ff6b272-5fa7-42bf-90a7-d633a950eea6" + }, + "source": [ + "model.fit(train, nb_epoch=10)" + ], + "execution_count": 21, + "outputs": [ + { + "output_type": "stream", + "text": [ + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/keras_model.py:169: The name tf.Session is deprecated. Please use tf.compat.v1.Session instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/optimizers.py:76: The name tf.train.AdamOptimizer is deprecated. Please use tf.compat.v1.train.AdamOptimizer instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/keras_model.py:258: The name tf.global_variables is deprecated. Please use tf.compat.v1.global_variables instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/keras_model.py:260: The name tf.variables_initializer is deprecated. Please use tf.compat.v1.variables_initializer instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/keras_model.py:237: The name tf.placeholder is deprecated. Please use tf.compat.v1.placeholder instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/losses.py:108: The name tf.losses.softmax_cross_entropy is deprecated. Please use tf.compat.v1.losses.softmax_cross_entropy instead.\n", + "\n", + "WARNING:tensorflow:From /usr/local/lib/python3.7/site-packages/deepchem/models/losses.py:109: The name tf.losses.Reduction is deprecated. Please use tf.compat.v1.losses.Reduction instead.\n", + "\n" + ], + "name": "stdout" + }, + { + "output_type": "execute_result", + "data": { + "text/plain": [ + "0.09215377395351727" + ] + }, + "metadata": { + "tags": [] + }, + "execution_count": 21 + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "NT7Kx92Peo0M", + "colab_type": "code", + "colab": {} + }, + "source": [ + "metric = dc.metrics.Metric(dc.metrics.roc_auc_score, np.mean)" + ], + "execution_count": 22, + "outputs": [] + }, + { + "cell_type": "code", + "metadata": { + "id": "3JqF49bTetU-", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 55 + }, + "outputId": "d8e92461-642a-4c20-b2aa-a1f32cabde8b" + }, + "source": [ + "train_scores = model.evaluate(train, [metric], transformers)" + ], + "execution_count": 23, + "outputs": [ + { + "output_type": "stream", + "text": [ + "computed_metrics: [0.9906540191688715, 0.997542850834939, 0.9749852856183652, 0.9861706224450207, 0.9249515165619424, 0.986110341200634, 0.9892241901485233, 0.9354593156084456, 0.9922724852626964, 0.9777718023003661, 0.968324687421033, 0.9822470213123007]\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "JJOXZFJ7ewc8", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 55 + }, + "outputId": "b31665af-7b7b-48e1-95a7-d204f638338b" + }, + "source": [ + "test_scores = model.evaluate(test, [metric], transformers)" + ], + "execution_count": 24, + "outputs": [ + { + "output_type": "stream", + "text": [ + "computed_metrics: [0.7723667220070097, 0.8185241387062328, 0.8488751466041156, 0.7895122461796107, 0.705309483866751, 0.7795795795795796, 0.6675769612711023, 0.6545032455824018, 0.8441681950954418, 0.6976763348714569, 0.8354724393082806, 0.7025475794530673]\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "PHEtkqO6ezwk", + "colab_type": "code", + "colab": { + "base_uri": "https://localhost:8080/", + "height": 53 + }, + "outputId": "dff72d9a-f748-44de-8cec-24df378dfeb4" + }, + "source": [ + "print(\"Training data Score: \",train_scores)\n", + "print(\"Test data Score: \",test_scores)" + ], + "execution_count": 25, + "outputs": [ + { + "output_type": "stream", + "text": [ + "Training data Score: {'mean-roc_auc_score': 0.975476178156928}\n", + "Test data Score: {'mean-roc_auc_score': 0.7596760060437542}\n" + ], + "name": "stdout" + } + ] + }, + { + "cell_type": "code", + "metadata": { + "id": "DJuTGrume--d", + "colab_type": "code", + "colab": {} + }, + "source": [ + "" + ], + "execution_count": null, + "outputs": [] + } + ] +} \ No newline at end of file