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1. polizzilab/LASErMPNN polizzilab/LASErMPNN Public

   All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing Model

   Python 10 5

2. polizzilab/NISE polizzilab/NISE Public

   Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x

   Python 6 6

3. boltz-generalized-covalent-modification boltz-generalized-covalent-modification Public

   Enables using Boltz-1/1x to predict the structure of arbitrary covalent modifications / Non-Canonical Amino Acids. Covalent bonds are enforced. Also walks you through injecting a new residue into t…

   Jupyter Notebook 11 4

4. calc_symmetry_aware_rmsd.py calc_symmetry_aware_rmsd.py

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   import io

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   import os

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   from pathlib import Path

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   from rdkit import Chem

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   from rdkit.Chem import AllChem

5. neovim-config neovim-config Public

   Neovim configuration featuring nerdtree, lightline, nerdcomments, autocompletion and snippets, catppuccin colorscheme, and sensible defaults

   Vim Script 1