Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
active 2023-08-16 → 2025-04-29 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 623 days from 2023-08-16 to 2025-04-29. Pushes: 417 total, peak 70 in a day. Pull requests: 108 total, peak 9 in a day. Issues: 14 total, peak 3 in a day. Comments: 352 total, peak 24 in a day. Stars: 2 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 |
|---|---|---|---|---|
| logsdail | 342 | 113 | 33 | 119 |
| ikowalec | 263 | 171 | 16 | 49 |
| GaryLZW | 136 | 5 | 21 | 56 |
| GabrielBram | 93 | 46 | 15 | 17 |
| AkashHiregange | 74 | 7 | 14 | 25 |
| robinsonmt1 | 61 | 19 | 2 | 21 |
| codecov[bot] | 51 | 0 | 0 | 51 |
| OscarvanVuren | 40 | 14 | 4 | 11 |
| github-actions[bot] | 25 | 25 | 0 | 0 |
| FirasAssa | 17 | 16 | 0 | 1 |
| kush2803 | 5 | 1 | 1 | 1 |
| AhmetSynn | 1 | 0 | 0 | 1 |
| lucahowles | 1 | 0 | 1 | 0 |
| JackWarren23 | 1 | 0 | 1 | 0 |
| PavelStishenko | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Pull request#193AkashHiregange2025-04-29 09:32
- Issue comment#193logsdail2025-04-28 19:06CI test failure with Python 3.10
- Pull request#194kush28032025-04-25 17:32
- Pull request#193AkashHiregange2025-03-26 15:46
- Issue comment#192codecov[bot]2025-03-26 12:44additive mace calculator
- Pull request#191GabrielBram2025-03-25 08:52
- Pull request#190AkashHiregange2025-02-07 20:42
- Issue comment#190AkashHiregange2025-01-08 17:17Changed the main.yml file to specifically install ase version 3.24.
- Issue comment#190AkashHiregange2025-01-08 17:02Changed the main.yml file to specifically install ase version 3.24.
- Issue comment#190logsdail2025-01-08 13:34Changed the main.yml file to specifically install ase version 3.24.
- Issue comment#190codecov[bot]2025-01-08 13:27Changed the main.yml file to specifically install ase version 3.24.
- Pull request#189OscarvanVuren2024-11-11 15:58
- Issue comment#189codecov[bot]2024-11-07 12:38Ext xyz stitching
- Pull request#189OscarvanVuren2024-11-07 12:33
- Issue#188OscarvanVuren2024-11-06 16:49Add some new file IO tools for stitching extXYZ from various data sources
- Pull request#184logsdail2024-10-23 14:32
- Issue comment#184codecov[bot]2024-10-23 14:27Minor documentation improvements
- Issue comment#187logsdail2024-10-23 14:08Update aims_calculator.py
- Issue#186logsdail2024-10-23 14:07compute_forces default setting in ASE 3.23
- Pull request#187logsdail2024-10-23 14:07
- Issue comment#187logsdail2024-10-23 11:52Update aims_calculator.py
- Issue comment#187robinsonmt12024-10-23 11:34Update aims_calculator.py
- Issue comment#187robinsonmt12024-10-23 11:24Update aims_calculator.py
- Issue comment#187logsdail2024-10-23 11:15Update aims_calculator.py
- Issue comment#187logsdail2024-10-23 11:05Update aims_calculator.py
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 2 stars here means stars gained during the window, not the repo's star count.