Structural analysis tools for OpenFE free energy calculations, built on MDAnalysis.
active 2024-09-17 → 2026-08-11 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 694 days from 2024-09-17 to 2026-08-11. Pushes: 160 total, peak 13 in a day. Pull requests: 19 total, peak 3 in a day. Issues: 20 total, peak 4 in a day. Comments: 63 total, peak 8 in a day. Stars: 5 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 |
|---|---|---|---|---|
| hannahbaumann | 165 | 111 | 6 | 17 |
| IAlibay | 60 | 19 | 4 | 25 |
| atravitz | 42 | 18 | 9 | 9 |
| talagayev | 8 | 7 | 0 | 1 |
| codecov[bot] | 8 | 0 | 0 | 8 |
| jthorton | 7 | 0 | 0 | 3 |
| pre-commit-ci[bot] | 5 | 5 | 0 | 0 |
| jameseastwood | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#101atravitz2026-05-21 21:23Add changelog and rever
- Issue comment#97codecov[bot]2026-04-06 19:21[pre-commit.ci] pre-commit autoupdate
- Issue#91atravitz2026-03-20 17:09add a CHANGELOG
- Issue comment#94codecov[bot]2026-03-03 08:56Change codecov CI to also run on main
- Pull request#74atravitz2026-02-27 16:26
- Issue comment#74hannahbaumann2026-02-27 07:45Add api docs
- Issue#55jameseastwood2026-02-25 15:04Add API docs
- Pull request#90hannahbaumann2026-02-20 10:09
- Issue comment#28hannahbaumann2026-02-17 08:55adds trjconv command
- Pull request#77hannahbaumann2026-02-17 07:58
- Issue comment#75codecov[bot]2026-02-16 16:02[DNM] Refactor rmsd.py
- Issue comment#64hannahbaumann2026-02-16 14:30Fix multi chain RMSD analysis
- Issue#87hannahbaumann2026-02-10 08:55Refactor current analysis in an MDAnalysis like way
- Issue#87hannahbaumann2026-02-10 08:55Refactor current analysis in an MDAnalysis like way
- Issue#85hannahbaumann2026-02-05 07:22Remove cli.py
- Issue comment#62hannahbaumann2026-02-05 07:20Decide what to do with the CLI
- Issue comment#70hannahbaumann2026-02-03 10:09Fixing flaky tests
- Issue#84hannahbaumann2026-02-03 10:09FEReader / trajectory cleanup flaky on CI
- Issue#81hannahbaumann2026-02-03 09:56API work - Transformations
- Issue#82hannahbaumann2026-02-03 09:55API work - RMSD
- Issue#23hannahbaumann2026-02-03 09:52User defined host alignment selection
- Issue comment#23hannahbaumann2026-02-03 09:46User defined host alignment selection
- Pull request#78atravitz2026-02-03 08:41
- Pull request#76hannahbaumann2026-01-30 11:02
- Issue comment#70atravitz2026-01-29 22:22Fixing flaky tests
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 5 stars here means stars gained during the window, not the repo's star count.