openmm
A high performance toolkit for molecular simulation.
A high performance toolkit for molecular simulation.
To install this package, run one of the following:
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. OpenMM is MIT licensed with some LGPL portions (CUDA and OpenCL platforms).
Summary
A high performance toolkit for molecular simulation.
Last Updated
Apr 10, 2026 at 20:24
License
LGPL-3.0-or-later
Supported Platforms
Unsupported Platforms
Home
http://openmm.orgGitHub Repository
https://github.com/openmm/openmmDocumentation
http://docs.openmm.org