Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
active 2025-10-15 → 2026-05-14 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 212 days from 2025-10-15 to 2026-05-14. Pushes: 61 total, peak 10 in a day. Pull requests: 9 total, peak 2 in a day. Issues: 2 total, peak 1 in a day. Comments: 4 total, peak 2 in a day. Stars: 7 total, peak 1 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 |
|---|---|---|---|---|
| SergeiNikolenko | 55 | 45 | 7 | 3 |
| DFrolova | 19 | 16 | 2 | 1 |
| rdk | 1 | 0 | 0 | 0 |
| KW-X-2023 | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Pull request#50DFrolova2026-04-07 09:00
- Pull request#48DFrolova2026-04-03 11:10
- Issue comment#34SergeiNikolenko2026-03-05 19:27PR5 follow-up: add reproducibility tests for CLI scores+filters
- Pull request#34SergeiNikolenko2026-03-05 18:24
- Issue comment#21SergeiNikolenko2026-03-05 17:55PR6: fix(perf): scoring/output follow-ups + stop ligand recentering
- Pull request#30SergeiNikolenko2026-03-05 17:55
- Pull request#29SergeiNikolenko2026-03-03 19:59
- Pull request#28SergeiNikolenko2026-03-03 19:48
- Issue comment#19SergeiNikolenko2026-02-26 13:25PR4g: fix(inference): merged preds + scorer defaults
- Pull request#23SergeiNikolenko2026-02-26 13:11
- Pull request#15SergeiNikolenko2026-02-26 13:11
- Issue#4KW-X-20232025-12-25 13:37save_preds_for_npbench.py was not found
- Pull request#2SergeiNikolenko2025-12-03 09:26
- Issue comment#1DFrolova2025-10-23 07:26Benchmarking scripts + details on pocket prediction usage
- Issue#1rdk2025-10-20 14:50Benchmarking scripts + details on pocket prediction usage
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 7 stars here means stars gained during the window, not the repo's star count.