A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
active 2023-09-23 → 2026-07-30 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1042 days from 2023-09-23 to 2026-07-30. Pushes: 187 total, peak 4 in a day. Pull requests: 110 total, peak 9 in a day. Issues: 7 total, peak 1 in a day. Comments: 223 total, peak 31 in a day. Stars: 14 total, peak 2 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 |
|---|---|---|---|---|
| coderabbitai[bot] | 164 | 0 | 0 | 131 |
| Yi-FanLi | 153 | 49 | 69 | 18 |
| pre-commit-ci[bot] | 133 | 130 | 3 | 0 |
| codecov[bot] | 42 | 0 | 0 | 42 |
| njzjz | 41 | 6 | 11 | 12 |
| CodiumAI-Agent | 21 | 0 | 0 | 15 |
| felix5572 | 12 | 0 | 10 | 1 |
| njzjz-bot | 8 | 0 | 8 | 0 |
| dependabot[bot] | 7 | 0 | 6 | 1 |
| chtchelkatchev | 2 | 0 | 0 | 0 |
| kylekk01 | 1 | 0 | 0 | 0 |
| Liu-RX | 1 | 0 | 1 | 0 |
| GEODONG | 1 | 0 | 1 | 0 |
| Copilot | 1 | 0 | 0 | 1 |
| 21al07se09t | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue#139njzjz2026-06-30 14:54[Code scan] Conda package omits runtime dependencies while installing with --no-deps
- Pull request#114Yi-FanLi2026-05-12 20:19
- Pull request#106Yi-FanLi2026-05-06 07:06
- Issue comment#105coderabbitai[bot]2026-05-04 19:29Use final.lmp for GDI continuation tasks
- Issue comment#98coderabbitai[bot]2026-04-15 15:43Skip completed LAMMPS tasks in hti/ti run
- Pull request#97njzjz-bot2026-01-24 05:18
- Pull request#92dependabot[bot]2025-08-18 06:44
- Pull request#91felix55722025-07-24 22:15
- Issue comment#91coderabbitai[bot]2025-06-11 15:36And example CLI command and fix small bugs
- Pull request#91felix55722025-06-11 15:30
- Pull request#89felix55722025-05-23 05:29
- Pull request#90Yi-FanLi2025-03-15 19:50
- Issue comment#90coderabbitai[bot]2025-03-15 19:44equi: write average position in out.lmp when if_dump_avg_posi=True
- Pull request#90Yi-FanLi2025-03-15 19:43
- Issue comment#89coderabbitai[bot]2025-03-15 04:23[WIP]rewrite workflow implementation. Add prefect framework. prepare for paper.
- Pull request#89felix55722025-03-15 04:21
- Pull request#88Yi-FanLi2025-03-10 00:37
- Issue comment#88coderabbitai[bot]2025-03-09 23:27parse multiple epsilon values for lj/cut/soft
- Pull request#88Yi-FanLi2025-03-09 23:26
- Pull request#87Yi-FanLi2025-03-09 22:47
- Issue comment#87coderabbitai[bot]2025-03-09 21:55fix dumped in.json for hti_liq
- Pull request#87Yi-FanLi2025-03-09 21:55
- Issue comment#86coderabbitai[bot]2024-12-30 23:52Add an example for mti with p path
- Pull request#86Yi-FanLi2024-12-30 23:51
- Issue comment#86codecov[bot]2024-12-30 23:51Add an example for mti with p path
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 14 stars here means stars gained during the window, not the repo's star count.