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  1. deepchem/deepchem deepchem/deepchem Public

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

    Python 5.5k 1.7k

  2. oddt/oddt oddt/oddt Public

    Open Drug Discovery Toolkit

    Python 417 119

  3. cheminfIBB/MM-diagnosis cheminfIBB/MM-diagnosis Public

    Jupyter Notebook

  4. Xidron/qSAR-net Xidron/qSAR-net Public

    Jupyter Notebook 1 1