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  1. Acellera/htmdAcellera/htmdPublic

    HTMD: Programming Environment for Molecular Discovery

    Rich Text Format 270 59

  2. Acellera/moleculekitAcellera/moleculekitPublic

    MoleculeKit: Your favorite molecule manipulation kit

    Python 230 39

  3. torchmd/torchmdtorchmd/torchmdPublic

    End-To-End Molecular Dynamics (MD) Engine using PyTorch

    Python 675 85

  4. pytorch/rlpytorch/rlPublic

    A modular, primitive-first, python-first PyTorch library for Reinforcement Learning.

    Python 3.2k 428

  5. torchmd/torchmd-nettorchmd/torchmd-netPublic

    Training neural network potentials

    Python 455 94