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SMACT
Python package to aid materials design and informatics
https://smact.readthedocs.io
MIT License
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ElementCountsParallel example is non deterministic
#268
CompRhys
closed
2 days ago
3
Multi Valence charge balancing
#267
CompRhys
opened
4 days ago
4
Bump urllib3 from 2.1.0 to 2.2.2
#266
dependabot[bot]
opened
1 week ago
1
Bump urllib3 from 2.0.7 to 2.2.2 in /docs
#265
dependabot[bot]
opened
1 week ago
1
Chloe lee doper
#264
JiwooChloeLee
closed
1 day ago
2
Install SMACT from develop branch in notebook example on colab
#263
AntObi
closed
3 weeks ago
2
Revert "Include SkipSpecies cosine similarities in package files"
#262
AntObi
closed
3 weeks ago
2
Include SkipSpecies cosine similarities in package files
#261
AntObi
closed
3 weeks ago
4
[WIP] Add option to use pre-supplied embeddings within SMACT for the dopant_prediction module
#260
AntObi
closed
3 weeks ago
8
Combined PR
#259
github-actions[bot]
closed
3 weeks ago
1
Bump nbqa from 1.7.0 to 1.8.5
#258
dependabot[bot]
closed
3 weeks ago
1
Bump joblib from 1.3.2 to 1.4.2
#257
dependabot[bot]
closed
3 weeks ago
1
Bump plotly from 5.18.0 to 5.22.0
#256
dependabot[bot]
closed
3 weeks ago
1
Bump packaging from 23.2 to 24.0
#255
dependabot[bot]
closed
3 weeks ago
1
Bump ase from 3.22.1 to 3.23.0
#254
dependabot[bot]
closed
3 weeks ago
1
Use filepath in github to ensure notebook runs in colab runs
#253
AntObi
closed
4 weeks ago
2
Smact validity
#252
AntObi
closed
4 weeks ago
2
Bump requests from 2.31.0 to 2.32.2 in /requirements
#251
dependabot[bot]
closed
1 month ago
0
Combined PR
#250
github-actions[bot]
closed
1 month ago
0
Add in a threshold to eliminate species pairs not present in the lambda table
#249
AntObi
closed
1 month ago
1
Bump requests from 2.31.0 to 2.32.0 in /docs
#248
dependabot[bot]
closed
1 month ago
0
Bump requests from 2.31.0 to 2.32.0
#247
dependabot[bot]
closed
1 month ago
0
If eneg None comparison can fail if other criteria are met
#246
CompRhys
closed
1 month ago
2
Combined PR
#245
github-actions[bot]
closed
1 month ago
0
Bump jinja2 from 3.1.3 to 3.1.4 in /docs
#244
dependabot[bot]
closed
1 month ago
0
Bump tqdm from 4.66.2 to 4.66.3 in /requirements
#243
dependabot[bot]
closed
1 month ago
0
Bump tqdm from 4.66.2 to 4.66.3
#242
dependabot[bot]
closed
1 month ago
0
Combined PR
#241
github-actions[bot]
closed
1 month ago
0
Bump pytest from 8.0.0 to 8.2.0
#240
dependabot[bot]
closed
1 month ago
0
Bump pytz from 2023.3.post1 to 2024.1
#239
dependabot[bot]
closed
1 month ago
0
Bump pytest-cov from 4.1.0 to 5.0.0
#238
dependabot[bot]
closed
1 month ago
0
Bump ruamel-yaml from 0.18.5 to 0.18.6
#237
dependabot[bot]
closed
1 month ago
0
Bump pox from 0.3.3 to 0.3.4
#236
dependabot[bot]
closed
1 month ago
0
Use species from CationMutator instead of default SMACT elements
#235
AntObi
closed
2 months ago
1
Dropping Python 3.8 support
#234
AntObi
closed
2 months ago
1
Fix tests
#233
AntObi
closed
2 months ago
1
Combined PR
#232
github-actions[bot]
closed
2 months ago
0
Bump idna from 3.6 to 3.7
#231
dependabot[bot]
closed
2 months ago
0
Bump idna from 3.4 to 3.7 in /docs
#230
dependabot[bot]
closed
2 months ago
0
Chloe lee doper
#229
JiwooChloeLee
closed
2 months ago
0
Bump pillow from 10.2.0 to 10.3.0
#228
dependabot[bot]
closed
2 months ago
1
Combined PR
#227
github-actions[bot]
closed
2 months ago
0
Bump certifi from 2023.11.17 to 2024.2.2
#226
dependabot[bot]
closed
2 months ago
0
Bump dill from 0.3.7 to 0.3.8
#225
dependabot[bot]
closed
2 months ago
0
Bump spglib from 2.1.0 to 2.3.1
#224
dependabot[bot]
closed
2 months ago
0
Bump black from 24.1.1 to 24.3.0
#223
dependabot[bot]
closed
2 months ago
0
Combined PR
#222
github-actions[bot]
closed
3 months ago
0
Bump pre-commit/action from 3.0.0 to 3.0.1
#221
dependabot[bot]
closed
3 months ago
0
Bump tzdata from 2023.4 to 2024.1
#220
dependabot[bot]
closed
3 months ago
0
Bump python-dateutil from 2.8.2 to 2.9.0
#219
dependabot[bot]
closed
3 months ago
0
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