JOSS: https://github.com/WMD-group/SMACT/
computational-chemistry machine-learning materials-design materials-informatics materials-science materials-screening python
Score: 8.686429508661536
Last synced: about 24 hours ago
JSON representation
Repository metadata:
Python package to aid materials design and informatics
- Host: GitHub
- URL: https://github.com/WMD-group/SMACT/
- Owner: WMD-group
- License: mit
- Created: 2013-11-04T17:12:56.000Z (almost 13 years ago)
- Default Branch: master
- Last Pushed: 2026-08-09T11:00:47.000Z (12 days ago)
- Last Synced: 2026-08-14T06:25:08.107Z (7 days ago)
- Topics: computational-chemistry, machine-learning, materials-design, materials-informatics, materials-science, materials-screening, python
- Language: Python
- Homepage: https://smact.readthedocs.io
- Size: 57 MB
- Stars: 141
- Watchers: 19
- Forks: 32
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
- Citation: CITATION.cff
- Zenodo: .zenodo.json
Owner metadata:
- Name: Materials Design Group
- Login: WMD-group
- Email:
- Kind: organization
- Description: Research group in computational chemistry & physics led by @aronwalsh at @ImperialCollegeLondon
- Website: https://wmd-group.github.io
- Location: London
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/1716969?v=4
- Repositories: 57
- Last Synced at: 2024-03-26T15:31:30.245Z
- Profile URL: https://github.com/WMD-group
GitHub Events
Total
- Create event: 159
- Delete event: 167
- Fork event: 8
- Issue comment event: 228
- Issues event: 8
- Member event: 1
- Pull request event: 414
- Pull request review comment event: 133
- Pull request review event: 156
- Push event: 263
- Release event: 5
- Watch event: 21
- Total: 1563
Last Year
- Create event: 77
- Delete event: 94
- Fork event: 2
- Issue comment event: 72
- Issues event: 1
- Member event: 1
- Pull request event: 222
- Pull request review comment event: 18
- Pull request review event: 25
- Push event: 86
- Release event: 1
- Watch event: 4
- Total: 603
Committers metadata
Last synced: 2 days ago
Total Commits: 1,770
Total Committers: 42
Avg Commits per committer: 42.143
Development Distribution Score (DDS): 0.728
Commits in past year: 258
Committers in past year: 12
Avg Commits per committer in past year: 21.5
Development Distribution Score (DDS) in past year: 0.523
| Name | Commits | |
|---|---|---|
| Anthony Onwuli | a****6@i****k | 482 |
| dependabot[bot] | 4****] | 220 |
| Alex Moriarty | a****4@g****m | 220 |
| Kinga | k****j@g****m | 159 |
| Keith Butler | k****r@b****k | 129 |
| Daniel Davies | d****9@g****m | 65 |
| Aron Walsh | a****h@g****m | 61 |
| Daniel Davies | d****4@b****k | 56 |
| ryannduma | r****a@g****m | 53 |
| ajjackson | a****n@b****k | 46 |
| Adam J. Jackson | a****n@p****g | 39 |
| pre-commit-ci[bot] | 6****] | 33 |
| Anthony Onwuli | a****6@i****k | 26 |
| masahiro-negishi | m****4@g****m | 24 |
| Daniel Davies | d****s@u****k | 19 |
| Daniel Davies | d****n@D****l | 18 |
| Chloe | 5****e | 17 |
| KingaMas | k****4@i****k | 17 |
| dandavies99 | d****l@c****k | 12 |
| Pan | 1****k | 11 |
| keeeto | k****0@g****m | 9 |
| dandavies99 | d****s@b****k | 8 |
| utf | a****e@g****m | 6 |
| Keith Butler | k****r@s****k | 5 |
| JMSkelton | j****1@g****m | 4 |
| Jarvist Moore Frost | j****t@g****m | 4 |
| Tim Gauntlett | t****0@b****k | 4 |
| KazMorita | K****a@l****t | 3 |
| Daniel Davies | d****n@D****l | 3 |
| Andy Morris | a****y@c****k | 3 |
| and 12 more... | ||
Issue and Pull Request metadata
Last synced: 2 days ago
Total issues: 39
Total pull requests: 601
Average time to close issues: 11 months
Average time to close pull requests: 8 days
Total issue authors: 15
Total pull request authors: 19
Average comments per issue: 1.95
Average comments per pull request: 1.15
Merged pull request: 487
Bot issues: 0
Bot pull requests: 370
Past year issues: 3
Past year pull requests: 52
Past year average time to close issues: 14 days
Past year average time to close pull requests: 5 days
Past year issue authors: 2
Past year pull request authors: 10
Past year average comments per issue: 0.33
Past year average comments per pull request: 1.6
Past year merged pull request: 31
Past year bot issues: 0
Past year bot pull requests: 32
Top Issue Authors
- AntObi (11)
- usccolumbia (8)
- dandavies99 (5)
- crispppp (2)
- CompRhys (2)
- sgbaird (2)
- FedeOtto (1)
- ryannduma (1)
- raolixiang-up (1)
- dylancjohn (1)
- AnikenC (1)
- wangzyphysics (1)
- zhubonan (1)
- lucydot (1)
- PhilippHoellmer (1)
Top Pull Request Authors
- dependabot[bot] (300)
- AntObi (156)
- github-actions[bot] (57)
- KingaMas (31)
- JiwooChloeLee (14)
- pre-commit-ci[bot] (13)
- ryannduma (7)
- dandavies99 (6)
- a-ws-m (3)
- hspark1212 (2)
- AyhamSaffar (2)
- Panyalak (2)
- CompRhys (2)
- utf (1)
- akwarii (1)
Top Issue Labels
- enhancement (11)
- Hacktoberfest (4)
- bug (4)
- weird-oxidation-states (2)
- WIP (1)
- question (1)
- dependencies (1)
- feature (1)
Top Pull Request Labels
- dependencies (312)
- python (281)
- enhancement (34)
- github_actions (23)
- bug (19)
- python:uv (18)
- docs (18)
- feature (16)
- housekeeping (9)
- refactor (9)
- tests (8)
- pkg (6)
- breaking (4)
- WIP (3)
Dependencies
- actions/checkout v3 composite
- actions/setup-python v4 composite
- codecov/codecov-action v3 composite
- pre-commit/action v3.0.0 composite
- actions/github-script v6 composite
- actions/checkout master composite
- actions/setup-python v4 composite
- pypa/gh-action-pypi-publish release/v1 composite
- ase *
- numpy <3
- pandarallel [optional]>=1.6.5
- pandas *
- pathos *
- pymatgen >=2024.2.20
- scipy *
- spglib >=2.6.0
- typing-extensions *
- actions/checkout v4 composite
- astral-sh/setup-uv v6 composite
- ruby/setup-ruby v1 composite