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Pinned

  1. Black-Friday Black-Friday Public

    Jupyter Notebook 2

  2. BDAII/DDI BDAII/DDI Public

    Python 1

  3. dgl-lifesci dgl-lifesci Public

    Forked from awslabs/dgl-lifesci

    Python package for graph neural networks in chemistry and biology

    Python

  4. rdkit rdkit Public

    Forked from rdkit/rdkit

    The official sources for the RDKit library

    HTML

  5. shap shap Public

    Forked from shap/shap

    A game theoretic approach to explain the output of any machine learning model.

    Jupyter Notebook

  6. pharmai/plip pharmai/plip Public

    Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

    Python 406 97