Python toolset for structure-informed prediction of materials properties with (1) effortless extensibility and (2) optimizations for ordered and dilute atomic configurations.
active 2023-09-06 → 2026-05-09 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 977 days from 2023-09-06 to 2026-05-09. Pushes: 98 total, peak 10 in a day. Pull requests: 15 total, peak 2 in a day. Issues: 6 total, peak 2 in a day. Comments: 19 total, peak 2 in a day. Stars: 4 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 |
|---|---|---|---|---|
| amkrajewski | 130 | 98 | 13 | 13 |
| jwsiegel2510 | 12 | 0 | 1 | 0 |
| codecov[bot] | 4 | 0 | 0 | 4 |
| bocklund | 3 | 0 | 0 | 1 |
| lukeamyers | 2 | 0 | 0 | 1 |
| dependabot[bot] | 1 | 0 | 1 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#27amkrajewski2026-05-09 03:08Patch covalent radii for elements past Cm
- Issue comment#27lukeamyers2026-05-01 21:09Patch covalent radii for elements past Cm
- Issue comment#26amkrajewski2026-05-01 05:26`HTTP Error 403` when using Calculator.downloadModels
- Issue#25amkrajewski2026-01-20 01:04Add support for Python versions 3.13+
- Issue#25amkrajewski2026-01-20 01:04Add support for Python versions 3.13+
- Pull request#23dependabot[bot]2025-09-04 15:37
- Issue comment#21amkrajewski2024-11-16 11:46Solution to problem with SSL certificates when downloading models
- Issue comment#19amkrajewski2024-11-16 11:41Address Minor Test Fails on Windows
- Issue#19amkrajewski2024-11-16 11:41Address Minor Test Fails on Windows
- Pull request#20amkrajewski2024-08-30 21:14
- Issue#19amkrajewski2024-08-23 21:27Address Minor Test Fails on Windows
- Issue comment#18amkrajewski2024-08-23 19:10Suggestion: `Calculator(verbose=False)` should not print (or tqdm) any output
- Issue comment#18amkrajewski2024-08-22 22:12Suggestion: `Calculator(verbose=False)` should not print (or tqdm) any output
- Issue#18bocklund2024-08-13 22:09Suggestion: `Calculator(verbose=False)` should not print (or tqdm) any output
- Issue comment#17bocklund2024-05-08 00:26Notes from first time usage and APIs
- Issue comment#17amkrajewski2024-05-08 00:02calculate_KS2022_randomSolutions always prints all input in parallel mode
- Issue#17bocklund2024-05-08 00:00calculate_KS2022_randomSolutions always prints all input in parallel mode
- Pull request#16amkrajewski2024-04-04 01:27
- Issue comment#16amkrajewski2024-04-03 23:52[ENH] Neat and automated transfer learning with OPTIMADE API for auto-adjusted problem-specific ML model generation on the fly
- Issue comment#16amkrajewski2024-04-03 23:49[ENH] Neat and automated transfer learning with OPTIMADE API for auto-adjusted problem-specific ML model generation on the fly
- Issue comment#16amkrajewski2024-03-30 05:10[ENH] Neat and automated transfer learning with OPTIMADE API for auto-adjusted problem-specific ML model generation on the fly
- Issue comment#16codecov[bot]2024-03-30 00:29[ENH] Neat and automated transfer learning with OPTIMADE API for auto-adjusted problem-specific ML model generation on the fly
- Issue comment#16amkrajewski2024-03-29 23:24[ENH] Neat and automated transfer learning with OPTIMADE API for auto-adjusted problem-specific ML model generation on the fly
- Pull request#16amkrajewski2024-03-29 23:23
- Pull request#15amkrajewski2024-03-17 20:55
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 4 stars here means stars gained during the window, not the repo's star count.