Improving reproducibility of cheminformatics workflows with chembl-downloader
Improving reproducibility of cheminformatics workflows with chembl-downloader - Published in JOSS (2025)
https://github.com/cthoyt/chembl-downloader
Keywords
bioinformatics chembl cheminformatics chemogenomics chemometrics machine-learning pharmacology proteochemometrics python reproducible-research toxicology
Keywords from Contributors
phenotype
Last synced: 2 months ago
JSON representation
Acceptance Criteria
- Revelant topics? true
- External users? true
- Open source license? true
- Active? true
- Fork? false
Repository metadata
Write reproducible code for getting and processing ChEMBL
- Host: GitHub
- URL: https://github.com/cthoyt/chembl-downloader
- Owner: cthoyt
- License: mit
- Created: 2021-07-27T20:07:47.000Z (over 4 years ago)
- Default Branch: main
- Last Pushed: 2025-09-14T10:58:03.000Z (4 months ago)
- Last Synced: 2025-10-09T10:33:36.375Z (3 months ago)
- Topics: bioinformatics, chembl, cheminformatics, chemogenomics, chemometrics, machine-learning, pharmacology, proteochemometrics, python, reproducible-research, toxicology
- Language: Jupyter Notebook
- Homepage: https://chembl-downloader.readthedocs.io
- Size: 899 KB
- Stars: 80
- Watchers: 2
- Forks: 15
- Open Issues: 3
- Releases: 0
-
Metadata Files:
- Readme: README.md
- Contributing: .github/CONTRIBUTING.md
- Funding: .github/FUNDING.yml
- License: LICENSE
- Code of conduct: .github/CODE_OF_CONDUCT.md
- Citation: CITATION.cff
Owner metadata
- Name: Charles Tapley Hoyt
- Login: cthoyt
- Email: cthoyt@gmail.com
- Kind: user
- Description:
- Website: https://cthoyt.com
- Location: Bonn, Germany
- Twitter:
- Company: RWTH Aachen University
- Icon url: https://avatars.githubusercontent.com/u/5069736?v=4
- Repositories: 492
- Last ynced at: 2025-10-24T04:44:15.781Z
- Profile URL: https://github.com/cthoyt
GitHub Events
Total
- Create event: 16
- Issues event: 3
- Release event: 3
- Watch event: 13
- Delete event: 10
- Issue comment event: 17
- Push event: 62
- Pull request event: 22
- Fork event: 3
Last Year
- Create event: 16
- Issues event: 3
- Release event: 3
- Watch event: 13
- Delete event: 10
- Issue comment event: 17
- Push event: 62
- Pull request event: 22
- Fork event: 3
Committers metadata
Last synced: 3 months ago
Total Commits: 159
Total Committers: 4
Avg Commits per committer: 39.75
Development Distribution Score (DDS): 0.019
Commits in past year: 46
Committers in past year: 1
Avg Commits per committer in past year: 46.0
Development Distribution Score (DDS) in past year: 0.0
| Name | Commits | |
|---|---|---|
| Charles Tapley Hoyt | c****t@g****m | 156 |
| Jennifer HY Lin | 5****n@u****m | 1 |
| Rafael | 5****o@u****m | 1 |
| Yojana Gadiya | 4****a@u****m | 1 |
Issue and Pull Request metadata
Last synced: 4 months ago
Total issues: 7
Total pull requests: 27
Average time to close issues: 12 days
Average time to close pull requests: 3 days
Total issue authors: 5
Total pull request authors: 5
Average comments per issue: 2.14
Average comments per pull request: 1.56
Merged pull request: 20
Bot issues: 0
Bot pull requests: 0
Past year issues: 3
Past year pull requests: 17
Past year average time to close issues: about 13 hours
Past year average time to close pull requests: about 5 hours
Past year issue authors: 3
Past year pull request authors: 2
Past year average comments per issue: 1.67
Past year average comments per pull request: 0.59
Past year merged pull request: 10
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- YojanaGadiya (2)
- cthoyt (2)
- benedekrozemberczki (1)
- eloyfelix (1)
- nbosc (1)
Top Pull Request Authors
- cthoyt (20)
- David-Araripe (2)
- jhylin (2)
- YojanaGadiya (1)
- rflameiro (1)
Top Issue Labels
Top Pull Request Labels
Package metadata
- Total packages: 2
-
Total downloads:
- pypi: 9,064 last-month
- Total dependent packages: 2 (may contain duplicates)
- Total dependent repositories: 4 (may contain duplicates)
- Total versions: 39
- Total maintainers: 1
proxy.golang.org: github.com/cthoyt/chembl-downloader
- Homepage:
- Documentation: https://pkg.go.dev/github.com/cthoyt/chembl-downloader#section-documentation
- Licenses: mit
- Latest release: v0.5.2 (published 4 months ago)
- Last Synced: 2025-10-09T10:38:27.340Z (3 months ago)
- Versions: 19
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Dependent packages count: 5.406%
- Average: 5.587%
- Dependent repos count: 5.769%
pypi.org: chembl-downloader
Reproducibly download, open, parse, and query ChEMBL
- Homepage: https://github.com/cthoyt/chembl-downloader
- Documentation: https://chembl_downloader.readthedocs.io
- Licenses: MIT License
- Latest release: 0.5.2 (published 4 months ago)
- Last Synced: 2025-10-09T10:38:25.291Z (3 months ago)
- Versions: 20
- Dependent Packages: 2
- Dependent Repositories: 4
- Downloads: 9,064 Last month
-
Rankings:
- Dependent packages count: 3.161%
- Average: 5.604%
- Downloads: 6.155%
- Dependent repos count: 7.495%
- Maintainers (1)
-
Funding:
- https://github.com/sponsors/cthoyt
Dependencies
- actions/checkout v2 composite
- actions/setup-python v2 composite
- codecov/codecov-action v1 composite
Score: 14.917972759531434