OpenMM

A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C++, and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia suite of tools for predictive biomolecular simulation.

About Forum Github

Extreme Flexibility. Extreme Speed.

Extreme flexibility through custom forces and integrators. Extreme performance through GPU Acceleration, with optimizations for AMD, NVIDIA, and Intel Integrated GPUs. It's fast on CPUs too. See the benchmarks.


Download

We provide pre-built binary ZIP installers for Windows, Linux, and Mac.

Conda

Install using the conda Python package manager that powers the Omnia ecosystem.

Docs

For more information about the science, the code base, and the API behind OpenMM.

Support

For more information about filing bug reports, requesting new features, and other issues.

Resources

Explore additional libraries and third-party tools built around OpenMM.

Tutorials

Get started right away with OpenMM tutorials.