• License: MIT
• Home: https://github.com/openmm/openmm-torch
• Development: https://github.com/openmm/openmm-torch
• Documentation: https://github.com/openmm/openmm-torch
• 617849 total downloads
• Last upload: 2 months and 14 days ago

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.