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https://github.com/OpenMM/OpenMM

molecular-dynamics simulation

Score: 28.096201865435358

Last synced: about 2 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: 3 days ago

Total Commits: 5,847
Total Committers: 174
Avg Commits per committer: 33.603
Development Distribution Score (DDS): 0.45

Commits in past year: 118
Committers in past year: 17
Avg Commits per committer in past year: 6.941
Development Distribution Score (DDS) in past year: 0.466

Name Email Commits
Peter Eastman p****n@g****m 3218
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
Charlles Abreu a****u@e****r 51
Evan Pretti p****i@s****u 49
Yutong Zhao p****r@g****m 46
Saurabh Belsare s****e@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
Sam Mikes s****s@c****m 12
Michael Schnieders m****s@u****u 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 144 more...

Issue and Pull Request metadata

Last synced: 12 days ago

Total issues: 668
Total pull requests: 287
Average time to close issues: 7 months
Average time to close pull requests: about 1 month
Total issue authors: 373
Total pull request authors: 77
Average comments per issue: 5.37
Average comments per pull request: 2.8
Merged pull request: 190
Bot issues: 0
Bot pull requests: 0

Past year issues: 94
Past year pull requests: 77
Past year average time to close issues: 16 days
Past year average time to close pull requests: 3 days
Past year issue authors: 67
Past year pull request authors: 19
Past year average comments per issue: 3.71
Past year average comments per pull request: 1.23
Past year merged pull request: 50
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)
  • philipturner (12)
  • epretti (12)
  • aizvorski (11)
  • stefdoerr (9)
  • zhenyuwei99 (8)
  • OkKakao (8)
  • bdenhollander (8)
  • NAS-SAA (7)
  • H-EKE (7)
  • peter-zhang-chem (6)
  • KingOfChuXuan (6)
  • sef43 (6)
  • wlai0611 (5)

Top Pull Request Authors

  • peastman (149)
  • epretti (25)
  • egallicc (7)
  • JMorado (5)
  • ex-rzr (5)
  • stefdoerr (5)
  • bdenhollander (3)
  • RaulPPelaez (3)
  • zangruochen (3)
  • sef43 (3)
  • WillGPoole (2)
  • schuhmc (2)
  • HeyangQin (2)
  • jgreener64 (2)
  • hmacdope (2)

Top Issue Labels

  • question (41)
  • enhancement (34)
  • bug (23)
  • documentation (6)
  • 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 about 4 years ago)
  • Last Synced: 2026-03-17T05:13:55.168Z (2 months 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 9 months ago)
  • Last Synced: 2026-05-27T20:02:32.380Z (3 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 42 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 9 months ago)
  • Last Synced: 2026-05-23T18:05:04.378Z (7 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 45 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 9 months ago)
  • Last Synced: 2026-05-27T20:02:35.680Z (3 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 131 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-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 9 months ago)
  • Last Synced: 2026-05-23T18:05:05.943Z (7 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 364 Last month
  • Rankings:
    • Dependent packages count: 8.635%
    • Average: 28.646%
    • Dependent repos count: 48.658%
  • 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 9 months ago)
  • Last Synced: 2026-05-23T18:04:58.366Z (7 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 483 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 9 months ago)
  • Last Synced: 2026-05-23T18:04:57.402Z (7 days ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 367 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