openmmtorchplugin
OpenMM plugin to get forces for neural networks
Installation
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Description
This is a plugin for OpenMM that allows neural networks to access force and energy. It is implemented with PyTorch.
About
Summary
OpenMM plugin to get forces for neural networks
Last Updated
Oct 22, 2022 at 11:33
License
GPL-3.0-only
Total Downloads
252.6K
Version Downloads
26.1K
Supported Platforms
linux-64
GitHub Repository
https://github.com/SCMusson/openmmtorchpluginDocumentation
https://github.com/SCMusson/openmmtorchplugin