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

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  • License: Python Software Foundation License (BSD-like)
  • Author: Peter Eastman

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

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This version

8.2.0

8.2.0rc2.post1 pre-release

8.2.0rc2 pre-release

8.2.0rc1 pre-release

8.1.1

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