OpenMM is both a library and a stand-alone application which provides tools for modern molecular modeling simulation. As a library it can be hooked into any code, allowing that code to do molecular modeling with minimal extra coding. Moreover, OpenMM has a strong emphasis on hardware acceleration, thus providing not just a consistent API, but much greater performance than what one could get from just about any other code available. Different parts of the code are distributed under different licenses (read license).

Getting Started


See benchmarks showing how OpenMM performs when simulating different types of systems.

Code Repository

There are many additional files and software that can be used with OpenMM to enhance its capabilities. These can serve as templates and examples to help you achieve what you want to do with OpenMM. Included in the repository are:

A list of these are available through the Code Repository.


Future releases

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