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https://github.com/OpenMM/openmm

molecular-dynamics simulation

Score: 28.179172767791307

Last synced: about 16 hours ago
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Repository metadata:

OpenMM is a toolkit for molecular simulation using high performance GPU code.


Owner metadata:


GitHub Events

Total
Last Year

Committers metadata

Last synced: 6 days ago

Total Commits: 5,881
Total Committers: 183
Avg Commits per committer: 32.137
Development Distribution Score (DDS): 0.45

Commits in past year: 114
Committers in past year: 23
Avg Commits per committer in past year: 4.957
Development Distribution Score (DDS) in past year: 0.412

Name Email Commits
peastman p****n@s****u 3234
Mark Friedrichs f****m@s****u 544
Jason Swails j****s@g****m 338
John Chodera (MSKCC) c****j@m****g 266
Robert McGibbon r****o@g****m 245
Michael Sherman m****n@s****u 114
Andy Simmonett a****t@g****m 113
Christopher Bruns c****s@g****m 103
Rafal P. Wiewiora r****a@g****m 53
Evan Pretti p****i@s****u 53
Charlles Abreu a****u@e****r 51
Saurabh Belsare s****e@g****m 46
Yutong Zhao p****r@g****m 46
kyleabeauchamp k****p@g****m 40
Lee-Ping l****g@s****u 38
Anton Gorenko a****n@s****m 24
ChayaSt c****n@c****g 21
João Rodrigues j****s@g****m 21
peastman p****n@p****i 21
tic20 t****0@k****k 19
Rossen Apostolov u****n@g****g 18
Joy Ku j****u@s****u 14
Michael Schnieders m****s@u****u 12
Sam Mikes s****s@c****m 12
Marc Marí m****o@g****m 12
peastman p****n@1****2 12
huangj j****f@g****m 11
Lee-Ping l****g@n****U 11
Thomas Trummer t****r@g****m 10
peastman p****n@c****s 10
and 153 more...

Issue and Pull Request metadata

Last synced: 1 day ago

Total issues: 709
Total pull requests: 337
Average time to close issues: 7 months
Average time to close pull requests: about 1 month
Total issue authors: 396
Total pull request authors: 89
Average comments per issue: 5.38
Average comments per pull request: 2.73
Merged pull request: 226
Bot issues: 0
Bot pull requests: 0

Past year issues: 94
Past year pull requests: 96
Past year average time to close issues: 16 days
Past year average time to close pull requests: 3 days
Past year issue authors: 69
Past year pull request authors: 24
Past year average comments per issue: 5.36
Past year average comments per pull request: 1.39
Past year merged pull request: 65
Past year bot issues: 0
Past year bot pull requests: 0

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/OpenMM/openmm

Top Issue Authors

  • peastman (27)
  • jchodera (14)
  • epretti (13)
  • aizvorski (12)
  • philipturner (12)
  • stefdoerr (9)
  • bdenhollander (8)
  • zhenyuwei99 (8)
  • OkKakao (8)
  • NAS-SAA (7)
  • H-EKE (7)
  • sef43 (7)
  • jthorton (6)
  • nielskm (6)
  • schuhmc (6)

Top Pull Request Authors

  • peastman (168)
  • epretti (30)
  • egallicc (7)
  • vedranmiletic (7)
  • stefdoerr (5)
  • JMorado (5)
  • ex-rzr (5)
  • sef43 (3)
  • RaulPPelaez (3)
  • bdenhollander (3)
  • zangruochen (3)
  • muhammadhasyim (2)
  • feiglab (2)
  • HeyangQin (2)
  • aizvorski (2)

Top Issue Labels

  • question (41)
  • enhancement (39)
  • bug (24)
  • documentation (7)
  • discussion (2)
  • low priority (2)
  • cookbook (2)
  • low effort (2)
  • tutorial (1)
  • faq (1)
  • release (1)
  • benchmarks (1)

Top Pull Request Labels


Package metadata

conda-forge.org: openmm

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. OpenMM is MIT licensed with some LGPL portions (CUDA and OpenCL platforms).

  • Homepage: http://openmm.org
  • Licenses: LGPL-3.0-or-later
  • Latest release: 7.7.0 (published over 4 years ago)
  • Last Synced: 2026-08-03T14:03:41.677Z (22 days ago)
  • Versions: 5
  • Dependent Packages: 35
  • Dependent Repositories: 66
  • Downloads: 3,965,159 Total
  • Rankings:
    • Dependent packages count: 1.941%
    • Dependent repos count: 4.312%
    • Average: 6.456%
    • Forks count: 7.75%
    • Stargazers count: 11.822%
pypi.org: openmm-unofficial-cu12

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-unofficial-cu12.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 8.3.0rc2 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:05.481Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 35 Last month
  • Rankings:
    • Stargazers count: 2.514%
    • Forks count: 2.852%
    • Dependent packages count: 8.64%
    • Average: 15.673%
    • Dependent repos count: 48.686%
  • Maintainers (1)
pypi.org: openmm-unofficial-cu11

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-unofficial-cu11.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 8.3.0rc2 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:07.466Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 25 Last month
  • Rankings:
    • Stargazers count: 2.514%
    • Forks count: 2.852%
    • Dependent packages count: 8.64%
    • Average: 15.673%
    • Dependent repos count: 48.686%
  • Maintainers (1)
pypi.org: openmm-unofficial-cpu

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-unofficial-cpu.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 8.3.0rc2 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:09.589Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 70 Last month
  • Rankings:
    • Stargazers count: 2.514%
    • Forks count: 2.852%
    • Dependent packages count: 8.64%
    • Average: 15.673%
    • Dependent repos count: 48.686%
  • Maintainers (1)
pypi.org: openmm-torch-unofficial-cpu

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-torch-unofficial-cpu.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 1.5 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:05.649Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 78 Last month
  • Rankings:
    • Dependent packages count: 8.635%
    • Average: 28.646%
    • Dependent repos count: 48.658%
  • Maintainers (1)
pypi.org: openmm-torch-unofficial-cu11

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-torch-unofficial-cu11.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 1.5 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:07.423Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 34 Last month
  • Rankings:
    • Dependent packages count: 8.635%
    • Average: 28.646%
    • Dependent repos count: 48.658%
  • Maintainers (1)
pypi.org: openmm-torch-unofficial-cu12

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

  • Homepage: https://openmm.org
  • Documentation: https://openmm-torch-unofficial-cu12.readthedocs.io/
  • Licenses: PSF-2.0
  • Latest release: 1.5 (published 12 months ago)
  • Last Synced: 2026-08-23T14:31:15.849Z (1 day ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 33 Last month
  • Rankings:
    • Dependent packages count: 8.635%
    • Average: 28.646%
    • Dependent repos count: 48.658%
  • Maintainers (1)
guix: openmm

Toolkit for molecular simulation


Dependencies

.github/workflows/CI.yml actions
  • actions/cache v1.1.0 composite
  • actions/checkout v2 composite
  • conda-incubator/setup-miniconda v2 composite
  • jakejarvis/s3-sync-action master composite
wrappers/python/setup.py pypi