PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00786-w)
active 2023-08-18 → 2026-07-21 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1069 days from 2023-08-18 to 2026-07-21. Pushes: 43 total, peak 4 in a day. Pull requests: 23 total, peak 2 in a day. Issues: 6 total, peak 1 in a day. Comments: 19 total, peak 5 in a day. Stars: 56 total, peak 4 in a day.
- Pushes
- Pull requests
- Issues
- Comments
- Stars
Stars, PRs, issues and forks are under-captured in the later part of this window. GH Archive progressively stopped capturing non-push events during 2026 — −95% or worse by the end of the window. Every series here except Pushes fades for that reason, so a decline above reflects the archive, not this repository. Pushes stay reliable throughout, so read them, and the contributor counts derived from them, as the real signal. Data health has the measurements.
Top contributors
Pushes, PRs, issues, reviews and comments — stars and forks excluded, so this is contribution rather than popularity
| Contributor | Contributions | Pushes | PRs | Comments |
|---|---|---|---|---|
| roshkjr | 31 | 22 | 6 | 3 |
| sreenathnair | 29 | 10 | 9 | 1 |
| osmart | 11 | 0 | 2 | 8 |
| github-actions[bot] | 8 | 8 | 0 | 0 |
| jaclark5 | 5 | 0 | 0 | 2 |
| dependabot[bot] | 4 | 0 | 3 | 1 |
| dwhswenson | 3 | 0 | 1 | 1 |
| otienoanyango | 3 | 1 | 1 | 0 |
| mihaitodor | 2 | 2 | 0 | 0 |
| sdvillal | 1 | 0 | 0 | 1 |
| leaves520 | 1 | 0 | 0 | 0 |
| amorehead | 1 | 0 | 1 | 0 |
Recent activity
Latest issues, pull requests and releases
- Pull request#35sreenathnair2025-09-04 10:04
- Issue comment#33sdvillal2025-08-14 13:52Updates for dependencies (especially RDKit and NumPy)
- Issue comment#33roshkjr2025-07-21 18:18Updates for dependencies (especially RDKit and NumPy)
- Issue comment#33dwhswenson2025-07-21 18:10Updates for dependencies (especially RDKit and NumPy)
- Issue comment#34dwhswenson2025-07-16 17:25Update RDKit?
- Issue#34jaclark52025-07-11 19:22Update RDKit?
- Pull request#33dwhswenson2025-07-09 18:01
- Issue comment#32roshkjr2025-05-27 14:45Distribution via conda-forge
- Issue#32dwhswenson2025-05-21 14:22Distribution via conda-forge
- Issue comment#29dependabot[bot]2025-03-06 04:20Bump jinja2 from 3.1.4 to 3.1.5
- Pull request#29dependabot[bot]2025-03-06 04:20
- Pull request#31dependabot[bot]2025-03-06 04:20
- Issue comment#30jaclark52025-03-03 15:06Not all CCD CIFs import the coordinates
- Issue#30jaclark52025-03-03 15:06Not all CCD CIFs import the coordinates
- Issue comment#30roshkjr2025-03-02 13:50Not all CCD CIFs import the coordinates
- Issue comment#26roshkjr2025-03-02 12:59Is cofactors can be identified precisely？
- Issue comment#30jaclark52025-02-28 14:44Not all CCD CIFs import the coordinates
- Issue#30jaclark52025-02-28 14:34Not all CCD CIFs import the coordinates
- Pull request#29dependabot[bot]2024-12-24 01:03
- Releasesreenathnair2024-10-30 16:33v0.8.6
- Pull request#28sreenathnair2024-10-30 16:22
- Pull request#28roshkjr2024-10-28 15:26
- Pull request#27sreenathnair2024-10-28 09:39
- Pull request#27amorehead2024-06-02 00:09
- Releasesreenathnair2024-05-24 08:44Release v0.8.5
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 56 stars here means stars gained during the window, not the repo's star count.