torchmd

MD engine

An end-to-end molecular dynamics engine using PyTorch

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

GitHub
578 stars
16 watching
76 forks
Language: Python
last commit: about 1 year ago
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coarse-grained-molecular-dynamicsmachine-learningmolecular-dynamicsneural-networkspytorchpytorch-lightning

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