OpenMM's Projects
High-performance operations for neural network potentials
OpenMM is a toolkit for molecular simulation using high performance GPU code.
The OpenMM Cookbook and Tutorials
Smithy feedstock to run packaging experiments with conda & openmm. For released builds, check the feedstock on Conda Forge: https://github.com/conda-forge/openmm-feedstock
High level API for using machine learning models in OpenMM simulations
Content of https://openmm.org
OpenMM plugin to interface with PLUMED
An application for configuring and running simulations with OpenMM
OpenMM plugin to define forces with neural networks
OpenMM plugin to define forces with a TensorRT graph
OpenMM plugin to define forces with neural networks
OpenMM plugin to interface with XTB
An example of how to write a plugin for OpenMM
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
PDBFixer fixes problems in PDB files
A collection of QM data for training potential functions
Models trained on the SPICE dataset