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Hardware Acceleration for Molecular Dynamics: OpenMM


Simtk.org
OpenMM is a library 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.
Download library at OpenMM Project: Simtk.org

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