torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
End-To-End Molecular Dynamics (MD) Engine using PyTorch
To install this package, run one of the following:
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.
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
GitHub Repository
https://github.com/torchmd/torchmd/Documentation
http://www.torchmd.org/