JOSS: https://github.com/WMD-group/SMACT/
computational-chemistry machine-learning materials-design materials-informatics materials-science materials-screening python
Score: 8.608860379942062
Last synced: about 7 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 (over 12 years ago)
- Default Branch: master
- Last Pushed: 2026-05-11T18:50:28.000Z (about 1 month ago)
- Last Synced: 2026-05-21T17:16:20.739Z (about 1 month ago)
- Topics: computational-chemistry, machine-learning, materials-design, materials-informatics, materials-science, materials-screening, python
- Language: Python
- Homepage: https://smact.readthedocs.io
- Size: 56.6 MB
- Stars: 135
- Watchers: 18
- Forks: 31
- Open Issues: 2
-
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: 139
- Delete event: 136
- Fork event: 7
- Issue comment event: 215
- Issues event: 7
- Member event: 1
- Pull request event: 383
- Pull request review comment event: 116
- Pull request review event: 142
- Push event: 222
- Release event: 4
- Watch event: 20
- Total: 1392
Last Year
- Create event: 102
- Delete event: 102
- Fork event: 4
- Issue comment event: 162
- Issues event: 4
- Member event: 1
- Pull request event: 310
- Pull request review comment event: 47
- Pull request review event: 84
- Push event: 144
- Release event: 1
- Watch event: 14
- Total: 975
Committers metadata
Last synced: about 1 month ago
Total Commits: 1,754
Total Committers: 40
Avg Commits per committer: 43.85
Development Distribution Score (DDS): 0.725
Commits in past year: 284
Committers in past year: 11
Avg Commits per committer in past year: 25.818
Development Distribution Score (DDS) in past year: 0.528
| Name | Commits | |
|---|---|---|
| Anthony Onwuli | a****6@i****k | 482 |
| Alex Moriarty | a****4@g****m | 220 |
| dependabot[bot] | 4****] | 212 |
| Kinga | k****j@g****m | 153 |
| 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 |
| KingaMas | k****4@i****k | 17 |
| Chloe | 5****e | 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 |
| Andy Morris | a****y@c****k | 3 |
| Daniel Davies | d****n@D****l | 3 |
| KazMorita | K****a@l****t | 3 |
| and 10 more... | ||
Issue and Pull Request metadata
Last synced: 6 months ago
Total issues: 36
Total pull requests: 560
Average time to close issues: 11 months
Average time to close pull requests: 8 days
Total issue authors: 13
Total pull request authors: 16
Average comments per issue: 2.08
Average comments per pull request: 1.11
Merged pull request: 461
Bot issues: 0
Bot pull requests: 345
Past year issues: 3
Past year pull requests: 154
Past year average time to close issues: N/A
Past year average time to close pull requests: 14 days
Past year issue authors: 3
Past year pull request authors: 9
Past year average comments per issue: 2.67
Past year average comments per pull request: 1.42
Past year merged pull request: 105
Past year bot issues: 0
Past year bot pull requests: 90
Top Issue Authors
- AntObi (11)
- usccolumbia (8)
- dandavies99 (5)
- CompRhys (2)
- sgbaird (2)
- FedeOtto (1)
- ryannduma (1)
- raolixiang-up (1)
- AnikenC (1)
- wangzyphysics (1)
- zhubonan (1)
- lucydot (1)
- PhilippHoellmer (1)
Top Pull Request Authors
- dependabot[bot] (277)
- AntObi (155)
- github-actions[bot] (56)
- KingaMas (21)
- JiwooChloeLee (14)
- pre-commit-ci[bot] (12)
- ryannduma (6)
- dandavies99 (5)
- a-ws-m (3)
- hspark1212 (2)
- Panyalak (2)
- CompRhys (2)
- AyhamSaffar (2)
- keeeto (1)
- Copilot (1)
Top Issue Labels
- enhancement (11)
- Hacktoberfest (4)
- bug (4)
- weird-oxidation-states (2)
- question (1)
- dependencies (1)
- WIP (1)
- feature (1)
Top Pull Request Labels
- dependencies (288)
- python (278)
- enhancement (32)
- github_actions (20)
- bug (19)
- docs (17)
- feature (14)
- refactor (9)
- housekeeping (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 ==3.22.1
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- ase *
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- pandas *
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- actions/checkout v4 composite
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- ruby/setup-ruby v1 composite
- accessible-pygments ==0.0.5
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- appnope ==0.1.4
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- click ==8.1.7
- comm ==0.2.2
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- exceptiongroup ==1.2.2
- executing ==2.0.1
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- ipython ==8.26.0
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- jupyter-cache ==1.0.0
- jupyter-client ==8.6.2
- jupyter-core ==5.7.2
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- matplotlib-inline ==0.1.7
- mdit-py-plugins ==0.3.5
- mdurl ==0.1.2
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- nbclient ==0.10.0
- nbformat ==5.10.4
- nest-asyncio ==1.6.0
- packaging ==23.1
- parso ==0.8.4
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- platformdirs ==4.2.2
- prompt-toolkit ==3.0.47
- psutil ==6.0.0
- ptyprocess ==0.7.0
- pure-eval ==0.2.3
- pydata-sphinx-theme ==0.15.4
- pygments ==2.16.1
- python-dateutil ==2.9.0.post0
- pyyaml ==6.0.2
- pyzmq ==26.1.0
- readthedocs-sphinx-search ==0.3.2
- referencing ==0.35.1
- requests ==2.32.0
- rpds-py ==0.20.0
- six ==1.16.0
- snowballstemmer ==2.2.0
- soupsieve ==2.6
- sphinx ==5.3.0
- sphinx-book-theme ==1.1.3
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- sphinxcontrib-applehelp ==1.0.4
- sphinxcontrib-devhelp ==1.0.2
- sphinxcontrib-htmlhelp ==2.0.1
- sphinxcontrib-jquery ==4.1
- sphinxcontrib-jsmath ==1.0.1
- sphinxcontrib-qthelp ==1.0.3
- sphinxcontrib-serializinghtml ==1.1.5
- sqlalchemy ==2.0.32
- stack-data ==0.6.3
- tabulate ==0.9.0
- tornado ==6.4.2
- traitlets ==5.14.3
- typing-extensions ==4.12.2
- urllib3 ==2.2.2
- wcwidth ==0.2.13
- zipp ==3.20.0
- ase ==3.22.1
- certifi ==2024.7.4
- charset-normalizer ==3.3.2
- contourpy ==1.2.1
- cycler ==0.12.1
- dill ==0.3.8
- fonttools ==4.51.0
- future ==1.0.0
- idna ==3.7
- joblib ==1.4.0
- kiwisolver ==1.4.5
- latexcodec ==3.0.0
- matplotlib ==3.8.4
- monty ==2024.3.31
- mpmath ==1.3.0
- multiprocess ==0.70.16
- networkx ==3.3
- numpy ==1.26.4
- packaging ==24.0
- palettable ==3.3.3
- pandas ==2.2.2
- pathos ==0.3.2
- pillow ==10.3.0
- plotly ==5.20.0
- pox ==0.3.4
- ppft ==1.7.6.8
- pybtex ==0.24.0
- pymatgen ==2024.4.12
- pyparsing ==3.1.2
- python-dateutil ==2.9.0.post0
- pytz ==2024.1
- pyyaml ==6.0.1
- requests ==2.32.4
- ruamel-yaml ==0.18.6
- ruamel-yaml-clib ==0.2.8
- scipy ==1.13.0
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- spglib ==2.4.0
- sympy ==1.12
- tabulate ==0.9.0
- tenacity ==8.2.3
- tqdm ==4.66.3
- tzdata ==2024.1
- uncertainties ==3.1.7
- urllib3 ==2.5.0
- 241 dependencies