JOSS: https://github.com/shirtsgroup/physical_validation
molecular-dynamics molecular-mechanics molecular-simulation physical-validation python
Score: 12.443939278397265
Last synced: about 1 hour ago
JSON representation
Repository metadata:
Physical validation of molecular simulations
- Host: GitHub
- URL: https://github.com/shirtsgroup/physical_validation
- Owner: shirtsgroup
- License: mit
- Created: 2017-05-08T21:33:07.000Z (about 9 years ago)
- Default Branch: main
- Last Pushed: 2026-04-06T17:36:51.000Z (3 months ago)
- Last Synced: 2026-05-21T17:09:45.946Z (about 1 month ago)
- Topics: molecular-dynamics, molecular-mechanics, molecular-simulation, physical-validation, python
- Language: Python
- Homepage: https://physical-validation.readthedocs.io
- Size: 64.7 MB
- Stars: 65
- Watchers: 12
- Forks: 21
- Open Issues: 17
-
Metadata Files:
- Readme: README.md
- Contributing: .github/CONTRIBUTING.md
- License: LICENSE
- Zenodo: .zenodo.json
Owner metadata:
- Name: Shirts Research Group
- Login: shirtsgroup
- Email:
- Kind: organization
- Description:
- Website: http://www.colorado.edu/lab/shirtsgroup/
- Location: University of Colorado Boulder
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/6166660?v=4
- Repositories: 50
- Last Synced at: 2024-04-23T11:37:13.763Z
- Profile URL: https://github.com/shirtsgroup
GitHub Events
Total
- Create event: 1
- Fork event: 1
- Issue comment event: 3
- Issues event: 2
- Pull request event: 2
- Pull request review event: 2
- Push event: 5
- Watch event: 2
- Total: 18
Last Year
- Issue comment event: 2
- Issues event: 1
- Pull request review event: 1
- Push event: 4
- Watch event: 1
- Total: 9
Committers metadata
Last synced: 4 months ago
Total Commits: 429
Total Committers: 14
Avg Commits per committer: 30.643
Development Distribution Score (DDS): 0.259
Commits in past year: 0
Committers in past year: 0
Avg Commits per committer in past year: 0.0
Development Distribution Score (DDS) in past year: 0.0
| Name | Commits | |
|---|---|---|
| Pascal Merz | p****z@c****u | 318 |
| mrshirts | m****s@3****5 | 47 |
| dependabot[bot] | 4****] | 22 |
| Michael Shirts | m****s@g****m | 9 |
| pre-commit-ci[bot] | 6****] | 8 |
| Matthew W. Thompson | m****n@p****m | 7 |
| Michael Shirts | m****s@v****u | 6 |
| SimonBoothroyd | s****d@c****u | 5 |
| Wei-Tse Hsu | 4****1 | 2 |
| lgtm-com[bot] | 4****] | 1 |
| Theodore Fobe | t****e@c****u | 1 |
| MKiesel | 3****e | 1 |
| Chris Walker | 6****7 | 1 |
| Nate | n****m@c****u | 1 |
Issue and Pull Request metadata
Last synced: 5 months ago
Total issues: 30
Total pull requests: 104
Average time to close issues: over 1 year
Average time to close pull requests: 23 days
Total issue authors: 8
Total pull request authors: 9
Average comments per issue: 3.4
Average comments per pull request: 1.57
Merged pull request: 77
Bot issues: 0
Bot pull requests: 51
Past year issues: 2
Past year pull requests: 0
Past year average time to close issues: N/A
Past year average time to close pull requests: N/A
Past year issue authors: 1
Past year pull request authors: 0
Past year average comments per issue: 1.0
Past year average comments per pull request: 0
Past year merged pull request: 0
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- ptmerz (16)
- mrshirts (5)
- EidRashed (2)
- mattwthompson (2)
- wehs7661 (2)
- lilyminium (1)
- Efrem-Braun (1)
- cwalker7 (1)
Top Pull Request Authors
- ptmerz (39)
- dependabot[bot] (37)
- pre-commit-ci[bot] (13)
- mrshirts (5)
- mattwthompson (5)
- lilyminium (2)
- lgtm-com[bot] (1)
- wehs7661 (1)
- cwalker7 (1)
Top Issue Labels
- documentation (8)
- deployment (5)
- improvement (3)
- new feature (3)
- question (1)
- workflow (1)
- testing (1)
Top Pull Request Labels
- dependencies (37)
Package metadata
- Total packages: 2
-
Total downloads:
- pypi: 219 last-month
- Total dependent packages: 0 (may contain duplicates)
- Total dependent repositories: 1 (may contain duplicates)
- Total versions: 18
- Total maintainers: 1
pypi.org: physical-validation
- Homepage: https://physical-validation.readthedocs.io
- Documentation: https://physical-validation.readthedocs.io
- Licenses: MIT
- Latest release: 1.0.5 (published over 3 years ago)
- Last Synced: 2026-03-01T15:00:30.116Z (4 months ago)
- Versions: 14
- Dependent Packages: 0
- Dependent Repositories: 1
- Downloads: 219 Last month
-
Rankings:
- Forks count: 8.733%
- Stargazers count: 9.335%
- Dependent packages count: 9.973%
- Average: 17.322%
- Dependent repos count: 21.754%
- Downloads: 36.817%
- Maintainers (1)
conda-forge.org: physical_validation
physical_validation is a package aimed at testing results obtained by molecular dynamics simulations for their physical validity.
- Homepage: https://github.com/shirtsgroup/physical_validation
- Licenses: MIT
- Latest release: 1.0.4 (published over 4 years ago)
- Last Synced: 2026-03-01T12:28:33.805Z (4 months ago)
- Versions: 4
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Dependent repos count: 34.025%
- Forks count: 34.734%
- Average: 40.099%
- Stargazers count: 40.459%
- Dependent packages count: 51.175%
Dependencies
- actions/checkout v3 composite
- codecov/codecov-action v3 composite
- conda-incubator/setup-miniconda v2.2.0 composite
- actions/checkout v3 composite
- actions/setup-python v4 composite
- nbsphinx ==0.8.7
- sphinx ==4.2.0
- sphinx_rtd_theme ==1.0.0
- matplotlib *
- numpy *
- pymbar *
- scipy *
- matplotlib *
- numpy *
- pymbar *
- scipy *
- actions/checkout v3 composite
- github/codeql-action/analyze v2 composite
- github/codeql-action/autobuild v2 composite
- github/codeql-action/init v2 composite