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torchmd

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

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::torchmd

Usage Tracking

1.0.2
1.0.1
1.0.0
0.0.4
0.0.2
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Downloads (Last 6 months): 0

Description

TorchMD intends to provide a simple to use API for performing molecular dynamics using PyTorch. This enables researchers to more rapidly do research in force-field development as well as integrate seamlessly neural network potentials into the dynamics, with the simplicity and power of PyTorch.

About

Summary

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

Last Updated

Feb 19, 2024 at 11:08

License

MIT

Total Downloads

8.7K

Supported Platforms

noarch