JOSS: https://github.com/coleygroup/pyscreener
computational-biology distributed-computing molecular-docking ray virtual-screening
Score: 14.616045597731636
Last synced: about 18 hours ago
JSON representation
Repository metadata:
pythonic interface to virtual screening software
- Host: GitHub
- URL: https://github.com/coleygroup/pyscreener
- Owner: coleygroup
- License: mit
- Created: 2020-07-23T19:42:15.000Z (almost 6 years ago)
- Default Branch: main
- Last Pushed: 2025-09-04T15:45:25.000Z (10 months ago)
- Last Synced: 2026-06-07T15:02:46.273Z (15 days ago)
- Topics: computational-biology, distributed-computing, molecular-docking, ray, virtual-screening
- Language: Python
- Homepage:
- Size: 7.18 MB
- Stars: 91
- Watchers: 6
- Forks: 33
- Open Issues: 6
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
Owner metadata:
- Name: coleygroup
- Login: coleygroup
- Email:
- Kind: organization
- Description:
- Website:
- Location:
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/55363694?v=4
- Repositories: 9
- Last Synced at: 2023-03-04T20:32:54.214Z
- Profile URL: https://github.com/coleygroup
GitHub Events
Total
- Create event: 1
- Fork event: 2
- Pull request event: 1
- Watch event: 4
- Total: 8
Last Year
- Create event: 1
- Fork event: 1
- Pull request event: 1
- Watch event: 2
- Total: 5
Committers metadata
Last synced: 15 days ago
Total Commits: 357
Total Committers: 4
Avg Commits per committer: 89.25
Development Distribution Score (DDS): 0.011
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 | |
|---|---|---|
| david graff | d****1@g****u | 353 |
| Mike Henry | 1****y | 2 |
| Rafal Bachorz | r****l@b****u | 1 |
| Bundaberg-Joey | 4****y | 1 |
Issue and Pull Request metadata
Last synced: about 1 month ago
Total issues: 23
Total pull requests: 27
Average time to close issues: 17 days
Average time to close pull requests: 1 day
Total issue authors: 12
Total pull request authors: 8
Average comments per issue: 2.48
Average comments per pull request: 0.7
Merged pull request: 21
Bot issues: 0
Bot pull requests: 1
Past year issues: 0
Past year pull requests: 1
Past year average time to close issues: N/A
Past year average time to close pull requests: N/A
Past year issue authors: 0
Past year pull request authors: 1
Past year average comments per issue: 0
Past year average comments per pull request: 0.0
Past year merged pull request: 0
Past year bot issues: 0
Past year bot pull requests: 1
Top Issue Authors
- rvhonorato (5)
- likun1212 (5)
- futianfan (3)
- rafalbachorz (2)
- rebirthjin (1)
- alperyilmaz (1)
- albertma-evotec (1)
- mehmettan (1)
- mikemhenry (1)
- yangziyi1990 (1)
- agamemnonc (1)
- davidegraff (1)
Top Pull Request Authors
- davidegraff (18)
- rafalbachorz (2)
- mikemhenry (2)
- alperyilmaz (1)
- Bundaberg-Joey (1)
- futianfan (1)
- dependabot[bot] (1)
- mburlage (1)
Top Issue Labels
- bug (4)
- enhancement (2)
- question (1)
Top Pull Request Labels
- github_actions (1)
- dependencies (1)
Package metadata
- Total packages: 3
-
Total downloads:
- conda: 5,332 total
- pypi: 403 last-month
- Total dependent packages: 0 (may contain duplicates)
- Total dependent repositories: 3 (may contain duplicates)
- Total versions: 16
- Total maintainers: 1
proxy.golang.org: github.com/coleygroup/pyscreener
- Homepage:
- Documentation: https://pkg.go.dev/github.com/coleygroup/pyscreener#section-documentation
- Licenses:
- Latest release: v1.2.3 (published over 3 years ago)
- Last Synced: 2026-06-07T15:00:27.944Z (15 days ago)
- Versions: 8
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Dependent packages count: 4.779%
- Average: 4.939%
- Dependent repos count: 5.1%
pypi.org: pyscreener
pythonic interface to virtual screening software
- Homepage: https://github.com/coleygroup/pyscreener
- Documentation: https://pyscreener.readthedocs.io/
- Licenses: MIT
- Latest release: 1.2.3 (published over 3 years ago)
- Last Synced: 2026-06-07T15:00:24.850Z (15 days ago)
- Versions: 7
- Dependent Packages: 0
- Dependent Repositories: 3
- Downloads: 403 Last month
-
Rankings:
- Forks count: 7.39%
- Stargazers count: 8.103%
- Dependent repos count: 8.943%
- Dependent packages count: 10.126%
- Average: 10.675%
- Downloads: 18.811%
- Maintainers (1)
conda-forge.org: pyscreener
- Homepage: https://github.com/coleygroup/pyscreener
- Licenses: MIT
- Latest release: 1.2.2 (published almost 4 years ago)
- Last Synced: 2026-04-01T13:29:14.601Z (3 months ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 5,332 Total
-
Rankings:
- Forks count: 32.623%
- Dependent repos count: 34.025%
- Stargazers count: 36.636%
- Average: 38.615%
- Dependent packages count: 51.175%
Dependencies
- actions/checkout v2 composite
- codecov/codecov-action v1 composite
- conda-incubator/setup-miniconda v2 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- psf/black stable composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- pypa/gh-action-pypi-publish v1.5.0 composite
- base latest build
- base-vina latest build
- mambaorg/micromamba latest build
- openbabel
- openmm
- pdbfixer
- pip
- python 3.8.*