A Python package for manipulating atomistic data of software in computational science
active 2025-02-25 → 2026-08-07 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 529 days from 2025-02-25 to 2026-08-07. Pushes: 110 total, peak 15 in a day. Pull requests: 132 total, peak 11 in a day. Issues: 39 total, peak 2 in a day. Comments: 225 total, peak 15 in a day. Stars: 16 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 |
|---|---|---|---|---|
| coderabbitai[bot] | 104 | 0 | 0 | 58 |
| wanghan-iapcm | 103 | 47 | 27 | 7 |
| njzjz | 102 | 17 | 18 | 23 |
| Copilot | 91 | 31 | 11 | 29 |
| codspeed-hq[bot] | 43 | 0 | 0 | 43 |
| dosubot[bot] | 42 | 0 | 38 | 2 |
| codecov[bot] | 29 | 0 | 0 | 29 |
| pre-commit-ci[bot] | 27 | 14 | 13 | 0 |
| njzjz-bot | 24 | 0 | 10 | 11 |
| pxlxingliang | 13 | 0 | 2 | 8 |
| anyangml | 8 | 0 | 2 | 3 |
| dependabot[bot] | 7 | 1 | 6 | 0 |
| bihaodong | 2 | 0 | 0 | 1 |
| OutisLi | 2 | 0 | 1 | 0 |
| kluophysics | 2 | 0 | 0 | 1 |
| wudiazhu | 2 | 0 | 0 | 1 |
| locard00 | 2 | 0 | 0 | 0 |
| zzzruru | 2 | 0 | 0 | 2 |
| WhiteCrosstheRiver | 2 | 0 | 0 | 1 |
| ZhouXY-PKU | 2 | 0 | 1 | 1 |
Recent activity
Latest issues, pull requests and releases
- Issue#987njzjz2026-07-22 15:50[Code scan] RDF helpers mutate sel_type and poison later default calls
- Issue#990njzjz2026-07-06 05:28[Code scan] Periodic table list and JSON data are inconsistent for elements 104-118
- Pull request#979njzjz2026-06-19 17:41
- Pull request#974njzjz-bot2026-05-27 11:07
- Issue#973SchrodingersCattt2026-05-19 03:34[BUG] extxyz / quip/gap/xyz reader silently ignores `stress=` headers
- Issue comment#970wanghan-iapcm2026-05-06 04:45refact: refactor format backends into dpdata.formats
- Issue comment#970codspeed-hq[bot]2026-05-05 07:44fix: expose moved format helper modules
- Pull request#965pre-commit-ci[bot]2026-05-05 06:59
- Issue comment#969coderabbitai[bot]2026-04-18 15:47fix(rdkit): avoid deprecated explicit valence API
- Pull request#969dosubot[bot]2026-04-18 15:47
- Issue comment#968dosubot[bot]2026-04-18 07:30[BUG] `DEPRECATION WARNING: please use GetValence(Chem.ValenceType.EXPLICIT) instead`
- Issue#968njzjz2026-04-18 07:29[BUG] `DEPRECATION WARNING: please use GetValence(Chem.ValenceType.EXPLICIT) instead`
- Issue#968njzjz2026-04-18 07:29[BUG] `DEPRECATION WARNING: please use GetValence(Chem.ValenceType.EXPLICIT) instead`
- Issue comment#967codspeed-hq[bot]2026-04-18 07:15Improve robustness of `openmx/md` cell parsing and support new output format
- Issue comment#966codecov[bot]2026-04-09 01:38docs: fix spelling typos in system guides
- Issue comment#966codspeed-hq[bot]2026-04-09 01:38docs: fix spelling typos in system guides
- Pull request#966dosubot[bot]2026-04-09 01:37
- Pull request#965pre-commit-ci[bot]2026-04-06 20:58
- Issue comment#964codspeed-hq[bot]2026-04-06 08:28build(pyproject): adopt PEP 639 license metadata
- Pull request#964njzjz-bot2026-04-06 08:27
- Pull request#963dosubot[bot]2026-04-02 23:43
- Pull request#963dosubot[bot]2026-03-31 03:28
- Pull request#962dosubot[bot]2026-03-30 20:27
- Pull request#961dependabot[bot]2026-03-30 00:51
- Issue#951wanghan-iapcm2026-03-23 08:16[BUG] Only the first frame is read using abacus/lcao/relax
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 16 stars here means stars gained during the window, not the repo's star count.