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OpenMM

OpenMM 是一个使用高性能 GPU 代码进行分子模拟的工具包。「OpenMM is a toolkit for molecular simulation using high performance GPU code.」

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OpenMM: A High Performance Molecular Dynamics Library

Introduction

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.

Getting Help

Need Help? Check out the documentation and discussion forums.

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Overview
Name With Owneropenmm/openmm
Primary LanguageC++
Program languageCMake (Language Count: 17)
Platform
License:
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Created At2013-05-20 17:42:52
Pushed At2025-06-07 19:54:16
Last Commit At2025-06-08 01:54:16
Release Count44
Last Release Name8.2.0 (Posted on )
First Release Name5.2 (Posted on 2013-10-01 17:02:30)
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Stargazers Count1.6k
Watchers Count82
Fork Count555
Commits Count7.2k
Has Issues Enabled
Issues Count2927
Issue Open Count395
Pull Requests Count1781
Pull Requests Open Count19
Pull Requests Close Count206
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