openmm

OpenMM: A High Performance Molecular Dynamics Library

Introduction

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.

Getting Help

Need help using OpenMM? There are several places that you can find it:

• Documentation:
  • User Manual
  • Python API Reference
  • C++ API Reference
• Getting Support:
  • Frequently Asked Questions
  • Discussion Forum
  • Issue Tracker
• Learning Resources:
  • OpenMM Tutorials
  • OpenMM Cookbook
  • OpenMM Examples
• Contributing to OpenMM:
  • Developer Guide

License Information

OpenMM is free and open-source software. There are several licenses which cover different parts of OpenMM, but most of the source code is covered by the MIT license or the GNU Lesser General Public License (LGPL). Portions copyright © 2008-2025 Stanford University and the Authors. For more details, see Licenses.txt.