Calculation of water/solvent partition coefficients with Gromacs.
active 2023-08-18 → 2026-02-05 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 903 days from 2023-08-18 to 2026-02-05. Pushes: 28 total, peak 16 in a day. Pull requests: 22 total, peak 10 in a day. Issues: 30 total, peak 15 in a day. Comments: 67 total, peak 14 in a day. Stars: 6 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 |
|---|---|---|---|---|
| orbeckst | 129 | 27 | 18 | 45 |
| a-ws-m | 13 | 0 | 2 | 9 |
| codecov[bot] | 10 | 0 | 0 | 10 |
| VOD555 | 6 | 0 | 1 | 3 |
| cadeduckworth | 2 | 1 | 1 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue#140orbeckst2024-10-14 20:15no backwards compatibility for the "watermodel" option of configuration file
- Issue comment#140orbeckst2024-10-14 20:14no backwards compatibility for the "watermodel" option of configuration file
- Issue comment#232orbeckst2024-10-14 20:12Finish documentation for workflows/dihedrals automation tutorial notebook (ipynb)
- Issue#261orbeckst2024-10-14 20:11Correct/Modify intersphinx mapping for workflows module docs
- Issue comment#261orbeckst2024-10-14 20:11Correct/Modify intersphinx mapping for workflows module docs
- Pull request#268orbeckst2024-10-14 20:10
- Issue comment#199orbeckst2024-10-14 20:09Add ensemble_wrapper decorator function
- Issue comment#227orbeckst2024-10-14 20:06Automated Solvation Shell Analysis
- Issue comment#225orbeckst2024-10-14 20:04HydrogenBondAnalysis, and automation (linked to issue #197)
- Releaseorbeckst2024-10-11 16:28release 0.9.0
- Issue comment#293orbeckst2024-10-11 15:59test data not included in installable package
- Issue#293orbeckst2024-10-11 15:55test data not included in installable package
- Issue comment#293orbeckst2024-10-11 15:50test data not included in installable package
- Issue comment#293orbeckst2024-10-11 15:42test data not included in installable package
- Issue#293orbeckst2024-10-11 15:36test data not included in installable package
- Issue comment#204orbeckst2024-10-11 02:34merge master and develop into main
- Issue#272orbeckst2024-10-11 02:32Simulation stages cannot be restarted in case of an error
- Issue#272orbeckst2024-10-11 02:32Simulation stages cannot be restarted in case of an error
- Pull request#278orbeckst2024-10-11 02:32
- Issue comment#291orbeckst2024-10-10 22:23[CI] automatically deploy to PyPi
- Issue#291orbeckst2024-10-10 22:23[CI] automatically deploy to PyPi
- Releaseorbeckst2024-10-10 22:21release 0.9.0 (release candidate 3)
- Issue comment#291orbeckst2024-10-10 22:12[CI] automatically deploy to PyPi
- Pull request#292orbeckst2024-10-10 22:12
- Issue comment#292codecov[bot]2024-10-10 22:07auto-deploy GHA workflow
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 6 stars here means stars gained during the window, not the repo's star count.