https://github.com/OpenMM/OpenMM
molecular-dynamics simulation
Score: 28.061141044422886
Last synced: about 11 hours ago
JSON representation
Repository metadata:
OpenMM is a toolkit for molecular simulation using high performance GPU code.
- Host: GitHub
- URL: https://github.com/OpenMM/OpenMM
- Owner: openmm
- Created: 2013-05-20T17:42:52.000Z (almost 13 years ago)
- Default Branch: master
- Last Pushed: 2026-04-07T15:31:12.000Z (about 15 hours ago)
- Last Synced: 2026-04-07T15:37:27.143Z (about 15 hours ago)
- Topics: molecular-dynamics, simulation
- Language: C++
- Size: 124 MB
- Stars: 1,836
- Watchers: 82
- Forks: 598
- Open Issues: 418
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- Code of conduct: CODE_OF_CONDUCT.md
- Support: SUPPORT.md
Owner metadata:
- Name: OpenMM
- Login: openmm
- Email: john.chodera@choderalab.org
- Kind: organization
- Description: OpenMM is a toolkit for molecular simulation using high performance GPU code
- Website: http://openmm.org
- Location:
- Twitter: openmm_toolkit
- Company:
- Icon url: https://avatars.githubusercontent.com/u/52428936?v=4
- Repositories: 18
- Last Synced at: 2024-03-25T21:43:07.267Z
- Profile URL: https://github.com/openmm
Committers metadata
Last synced: 1 day ago
Total Commits: 5,836
Total Committers: 172
Avg Commits per committer: 33.93
Development Distribution Score (DDS): 0.45
Commits in past year: 133
Committers in past year: 16
Avg Commits per committer in past year: 8.313
Development Distribution Score (DDS) in past year: 0.459
| Name | Commits | |
|---|---|---|
| Peter Eastman | p****n@g****m | 3210 |
| 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 | 48 |
| 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 142 more... | ||
Issue and Pull Request metadata
Last synced: about 15 hours ago
Total issues: 651
Total pull requests: 279
Average time to close issues: 7 months
Average time to close pull requests: 27 days
Total issue authors: 367
Total pull request authors: 75
Average comments per issue: 5.36
Average comments per pull request: 2.75
Merged pull request: 183
Bot issues: 0
Bot pull requests: 0
Past year issues: 106
Past year pull requests: 85
Past year average time to close issues: 10 days
Past year average time to close pull requests: 3 days
Past year issue authors: 71
Past year pull request authors: 20
Past year average comments per issue: 3.33
Past year average comments per pull request: 1.02
Past year merged pull request: 52
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- peastman (26)
- jchodera (14)
- philipturner (12)
- epretti (11)
- OkKakao (8)
- aizvorski (8)
- stefdoerr (8)
- zhenyuwei99 (8)
- NAS-SAA (7)
- H-EKE (7)
- bdenhollander (7)
- sef43 (6)
- KingOfChuXuan (6)
- peter-zhang-chem (6)
- wlai0611 (5)
Top Pull Request Authors
- peastman (145)
- epretti (24)
- egallicc (7)
- ex-rzr (5)
- JMorado (5)
- stefdoerr (5)
- sef43 (3)
- RaulPPelaez (3)
- zangruochen (3)
- bdenhollander (3)
- HeyangQin (2)
- hmacdope (2)
- maciejwisniewski-drugdiscovery (2)
- rosemary-mantell-cresset (2)
- mikemhenry (2)
Top Issue Labels
- question (40)
- enhancement (33)
- 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
- Total packages: 8
-
Total downloads:
- pypi: 407 last-month
- conda: 3,965,159 total
- Total dependent packages: 35 (may contain duplicates)
- Total dependent repositories: 66 (may contain duplicates)
- Total versions: 12
- Total maintainers: 1
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 (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 8 months ago)
- Last Synced: 2026-04-05T19:01:13.937Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 78 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 8 months ago)
- Last Synced: 2026-04-05T19:01:11.169Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 53 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 8 months ago)
- Last Synced: 2026-04-05T19:01:08.634Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 111 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 7 months ago)
- Last Synced: 2026-04-05T19:01:11.302Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 27 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 7 months ago)
- Last Synced: 2026-04-05T19:01:12.044Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 50 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 7 months ago)
- Last Synced: 2026-04-05T19:01:11.660Z (2 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 88 Last month
-
Rankings:
- Dependent packages count: 8.635%
- Average: 28.646%
- Dependent repos count: 48.658%
- Maintainers (1)
guix: openmm
Toolkit for molecular simulation
- Homepage: https://github.com/openmm/openmm/
- Documentation: https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages/machine-learning.scm#n1073
- Licenses: expat
- Latest release: 8.4.0 (published about 1 month ago)
- Last Synced: 2026-04-03T05:16:43.519Z (5 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Dependent repos count: 0.0%
- Dependent packages count: 0.0%
- Average: 100%
Dependencies
- actions/cache v1.1.0 composite
- actions/checkout v2 composite
- conda-incubator/setup-miniconda v2 composite
- jakejarvis/s3-sync-action master composite