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

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  • License: Python Software Foundation License (BSD-like)
  • Author: Peter Eastman
  • Provides-Extra: cuda12 , cuda13 , hip6 , hip7
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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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  • License: Python Software Foundation License (BSD-like)
  • Author: Peter Eastman
  • Provides-Extra: cuda12 , cuda13 , hip6 , hip7

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This version

8.5.2

8.5.2rc1 pre-release

8.5.1

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8.5.0

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8.5.0b0 pre-release

8.4.0.post2

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