issues
search
WMD-group
/
SMACT
Python package to aid materials design and informatics
https://smact.readthedocs.io
MIT License
100
stars
22
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Change default oxidation states from SMACT14 to ICSD24
#346
AntObi
opened
2 hours ago
2
Combined PR
#345
github-actions[bot]
closed
5 hours ago
1
Bump codecov/codecov-action from 4 to 5
#344
dependabot[bot]
closed
5 hours ago
1
Bump sphinx-rtd-theme from 2.0.0 to 3.0.2
#343
dependabot[bot]
closed
5 hours ago
1
Bump pytest from 8.3.2 to 8.3.4
#342
dependabot[bot]
closed
5 hours ago
1
Bump sphinx from 5.3.0 to 8.1.3
#341
dependabot[bot]
closed
2 hours ago
1
Bump myst-nb from 1.1.1 to 1.1.2
#340
dependabot[bot]
closed
5 hours ago
1
Bump numpy from 1.26.2 to 2.1.3
#339
dependabot[bot]
closed
5 hours ago
1
Migrate CI dependency installation from pip to uv
#338
AntObi
closed
6 hours ago
2
Add Crystal Space and Oxidation Utilities to the Documentation
#337
AntObi
closed
7 hours ago
2
Structure prediction fixes
#336
AntObi
closed
1 day ago
2
Merge master into develop branch
#335
AntObi
closed
3 days ago
1
Fix documentation and tutorial notebooks ahead of new release
#334
AntObi
closed
6 days ago
2
Fix the documentation
#333
AntObi
closed
1 week ago
2
Try MP_API_KEY in Github Actions
#332
AntObi
closed
1 week ago
2
Download crystal space optional dependencies in ci
#331
AntObi
closed
1 week ago
2
Merge the develop branch into the master branch
#330
AntObi
closed
1 week ago
2
Oxidation States 24
#329
AntObi
closed
1 week ago
2
Combined PR
#328
github-actions[bot]
closed
3 weeks ago
1
Combined PR
#327
github-actions[bot]
closed
3 weeks ago
1
Bump black from 24.8.0 to 24.10.0
#326
dependabot[bot]
closed
3 weeks ago
1
Bump pyupgrade from 3.17.0 to 3.19.0
#325
dependabot[bot]
closed
3 weeks ago
1
Bump pytest-cov from 5.0.0 to 6.0.0
#324
dependabot[bot]
closed
3 weeks ago
1
Bump pre-commit from 3.8.0 to 4.0.1
#323
dependabot[bot]
closed
3 weeks ago
1
Combined PR
#322
github-actions[bot]
closed
1 month ago
0
Bump nbqa from 1.8.5 to 1.9.0
#321
dependabot[bot]
closed
1 month ago
1
Bump black from 24.3.0 to 24.8.0
#320
dependabot[bot]
closed
1 month ago
1
Bump pytest from 8.3.2 to 8.3.3
#319
dependabot[bot]
closed
3 weeks ago
1
Bump min python version to 3.10 and update metadata
#318
AntObi
closed
2 months ago
2
Bump pymatgen from 2024.4.12 to 2024.9.17.1
#317
dependabot[bot]
closed
2 months ago
2
Can the upper pin on pymatgen be removed?
#316
CompRhys
closed
2 months ago
2
Combined PR
#315
github-actions[bot]
closed
2 months ago
1
Bump numpy from 1.26.2 to 2.1.0
#314
dependabot[bot]
closed
2 months ago
5
Bump isort from 5.12.0 to 5.13.2
#313
dependabot[bot]
closed
2 months ago
1
Bump pyupgrade from 3.16.0 to 3.17.0
#312
dependabot[bot]
closed
2 months ago
1
Bump pre-commit from 3.3.3 to 3.8.0
#311
dependabot[bot]
closed
2 months ago
1
Bump pymatgen from 2024.4.12 to 2024.8.9
#310
dependabot[bot]
closed
2 months ago
3
[WIP] Documentation overhaul
#309
AntObi
closed
1 week ago
2
Develop branch updates in preparation for new release
#308
AntObi
closed
3 months ago
2
Utility module updates
#307
AntObi
closed
3 months ago
2
Merge develop into master branch
#306
AntObi
closed
3 months ago
2
VEC function integration into smact.properties with a test file to serve as an example for its use.
#305
ryannduma
closed
3 months ago
6
Pull master branch updates
#304
AntObi
closed
3 months ago
2
Docs updates
#303
AntObi
closed
3 months ago
1
Move towards using Ruff as a linter and formatter
#302
AntObi
closed
3 months ago
1
Restrict pymatgen version due to windows
#301
AntObi
closed
3 months ago
2
Delete examples/Practical_tutorial directory
#300
Panyalak
closed
3 months ago
2
Pull develop branch into docs_update branch
#299
AntObi
closed
3 months ago
3
Dependabot updates
#298
AntObi
closed
3 months ago
2
Move to ruff for linting and formating
#297
AntObi
closed
1 day ago
0
Next