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@torchmd

TorchMD

TorchMD: A deep learning framework for molecular simulations

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  1. torchmd torchmd Public

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

    Python 513 73

  2. torchmd-net torchmd-net Public

    Neural network potentials

    Python 280 67

  3. torchmd-protein-thermodynamics torchmd-protein-thermodynamics Public

    Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics

    Jupyter Notebook 62 9

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