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Python wrapper for OpenMM (a C++ MD package)

Project description

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.

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openmm-8.4.0.post2-cp313-cp313-win_amd64.whl (13.1 MB view details)

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