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  1. Acellera/htmd Public

    HTMD: Programming Environment for Molecular Discovery

    Rich Text Format 267 61

  2. Acellera/moleculekit Public

    MoleculeKit: Your favorite molecule manipulation kit

    Python 217 37

  3. torchmd/torchmd Public

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

    Python 607 78

  4. pytorch/rl Public

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

    Python 2.7k 354

  5. torchmd/torchmd-net Public

    Training neural network potentials

    Python 390 83