OpenMM
GPU-accelerated molecular dynamics toolkit with a Python API.
Stanford University and the OpenMM community
What it does
Molecular dynamics engine with a Python API. Input: a structure plus a force field; output: trajectories, energies and minimised structures. Used inside design pipelines for relaxation and side-chain/loop refinement.
Commercial use
Commercial use OKLicence as writtenMixed: MIT for most of OpenMM, with some parts under LGPL (see Licenses.txt)
Licenses.txt states most of OpenMM is under the MIT License while certain portions are under the LGPL (with GPL referenced for those parts). Commercial use is allowed; redistribution of the LGPL portions carries LGPL obligations.
The licence read at the source allows use by a company. Attribution or copyleft conditions may still apply — read the note.
Is commercial use free of charge?
Free for commercial useFree. Most of OpenMM is MIT; some components are LGPL, which costs nothing but obliges you to allow relinking if you distribute a modified build.
Price and rights are separate: this panel is about money, the panel above is about permission.
When to use it
Use for relaxation, minimisation and MD of designed complexes, including AlphaFold-style structure relaxation. MD stability is not affinity, and useful sampling of an interface is expensive.
Facts
- Maker
- Stanford University and the OpenMM community
- Cost for commercial use
- Free for commercial use
- Category
- MD and refinement
- Compute
- Single GPU
- Open weights
- Yes
- Licence
- Mixed: MIT for most of OpenMM, with some parts under LGPL (see Licenses.txt)
- Official site / repo
- github.com/openmm/openmm
- Paper
- journals.plos.org
- Last verified
Get told when a licence changes
Licences on these tools do change. One short email when a status flips or a tool is added. No other use of your address.