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@deepmodeling

DeepModeling

Define the future of scientific computing together
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  1. deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1.6k 542

  2. abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 193 140

  3. Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 840 139

  4. GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7

  5. DeePTB Public

    DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

    Python 75 18

  6. APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 32 23

Repositories

Showing 10 of 58 repositories
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    Python 87 LGPL-3.0 41 7 (1 issue needs help) 12 Updated Apr 28, 2025
  • .github Public
    0 3 0 1 Updated Apr 28, 2025
  • dpgen2 Public Forked from dptech-corp/dpgen2

    2nd generation of the Deep Potential GENerator

    Python 38 LGPL-3.0 33 12 6 Updated Apr 28, 2025
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 193 LGPL-3.0 175 107 5 Updated Apr 28, 2025
  • dpdispatcher Public

    generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

    Python 51 LGPL-3.0 56 17 (2 issues need help) 3 Updated Apr 28, 2025
  • LAMBench Public

    A benchmark for Large Atomic Models

    Python 1 MIT 1 1 0 Updated Apr 28, 2025
  • dflow Public Forked from dptech-corp/dflow

    Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

    Python 70 LGPL-3.0 46 14 1 Updated Apr 28, 2025
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7 GPL-3.0 139 0 0 Updated Apr 27, 2025
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 840 MIT 139 96 1 Updated Apr 27, 2025
  • CrystalFormer Public

    Space Group Informed Transformer for Crystalline Materials Generation

    Jupyter Notebook 90 Apache-2.0 12 1 3 Updated Apr 26, 2025
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