scalable molecular simulation
active 2023-08-15 → 2026-04-28 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 988 days from 2023-08-15 to 2026-04-28. Pushes: 557 total, peak 24 in a day. Pull requests: 45 total, peak 13 in a day. Issues: 88 total, peak 9 in a day. Comments: 110 total, peak 13 in a day. Stars: 89 total, peak 16 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 |
|---|---|---|---|---|
| svandenhaute | 643 | 530 | 11 | 60 |
| pdobbelaere | 66 | 27 | 21 | 6 |
| mbocus | 29 | 0 | 0 | 17 |
| Andrew-S-Rosen | 24 | 0 | 7 | 9 |
| armaet | 10 | 0 | 6 | 3 |
| ArnoutMaet | 7 | 0 | 0 | 3 |
| b-mazur | 6 | 0 | 0 | 5 |
| tbraeckevelt | 6 | 0 | 0 | 2 |
| picnudde | 5 | 0 | 0 | 4 |
| m-k-S | 2 | 0 | 0 | 1 |
| karel-dw | 1 | 0 | 0 | 0 |
| wilkek | 1 | 0 | 0 | 0 |
| SvenRogge | 1 | 0 | 0 | 0 |
| carajillu | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#94pdobbelaere2026-02-23 21:59Support for PLUMED output
- Issue#93wilkek2025-09-30 17:50No forces are read, but training is running
- Issue#77pdobbelaere2025-09-03 19:10NaN energy written to xyz after failed CP2K evaluation
- Pull request#91pdobbelaere2025-09-03 19:10
- Issue comment#36pdobbelaere2025-08-11 19:42Scale masses for PIMD
- Pull request#90pdobbelaere2025-06-30 13:53
- Issue comment#89armaet2025-06-27 09:17Replacing sockets with FFDirect
- Pull request#89armaet2025-06-25 15:43
- Pull request#84armaet2025-06-25 09:09
- Pull request#88pdobbelaere2025-06-24 16:41
- Pull request#88pdobbelaere2025-06-24 16:25
- Issue comment#83tbraeckevelt2025-05-31 10:58Default dtype MACEHamiltonian
- Issue comment#78svandenhaute2025-05-30 22:48Serialization disagrees with typing for recent Python versions
- Issue#86tbraeckevelt2025-05-24 14:26dataset.save does not return a datafuture
- Pull request#84armaet2025-05-20 11:59
- Pull request#84armaet2025-05-20 11:58
- Issue comment#84armaet2025-05-20 11:53Patch to newest i-PI version
- Issue comment#84armaet2025-05-20 11:41Patch to newest i-PI version
- Pull request#84armaet2025-05-20 11:38
- Issue#83tbraeckevelt2025-05-09 12:27Default dtype MACEHamiltonian
- Pull request#81pdobbelaere2025-05-08 12:40
- Issue comment#82svandenhaute2025-05-07 20:02Mirror mirror on the wall, who is the fairest optimisation module of them all?
- Issue#82pdobbelaere2025-05-07 19:47Mirror mirror on the wall, who is the fairest optimisation module of them all?
- Pull request#81pdobbelaere2025-05-07 19:45
- Issue comment#74pdobbelaere2025-05-02 11:46I-PI client outpaces server
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 89 stars here means stars gained during the window, not the repo's star count.