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openmm-torch

Community

OpenMM plugin to define forces with neural networks

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::openmm-torch

Usage Tracking

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Downloads (Last 6 months): 0

Description

This is a plugin for OpenMM that allows neural networks to be used for defining forces. It is implemented with PyTorch. To use it, you create a PyTorch model that takes particle positions as input and produces energy as output. This plugin uses the model to apply forces to particles during a simulation.

About

Summary

OpenMM plugin to define forces with neural networks

Last Updated

Feb 25, 2025 at 21:14

License

MIT

Total Downloads

1.1M

Supported Platforms

linux-aarch64
win-64
macOS-arm64
macOS-64
linux-64