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1. torchmd torchmd Public

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

   Python 674 85

2. torchmd-net torchmd-net Public

   Training neural network potentials

   Python 455 94

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 90 12