openmm-torch
OpenMM plugin to define forces with neural networks
OpenMM plugin to define forces with neural networks
To install this package, run one of the following:
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.
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
GitHub Repository
https://github.com/openmm/openmm-torchDocumentation
https://github.com/openmm/openmm-torch