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raimis / packages / openmm-torch 0.7

OpenMM plugin to define forces with neural networks

Installers

Info: This package contains files in non-standard labels.
  • linux-64 v0.7

conda install

To install this package run one of the following:
conda install raimis::openmm-torch
conda install raimis/label/debug::openmm-torch
conda install raimis/label/nnp::openmm-torch
conda install raimis/label/rc::openmm-torch

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.


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