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SMACT
Python package to aid materials design and informatics
https://smact.readthedocs.io
MIT License
100
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Add `cmap` option to doper plots
#285
AntObi
closed
4 months ago
2
Combined PR
#284
github-actions[bot]
closed
4 months ago
1
Bump zipp from 3.17.0 to 3.19.1 in /docs
#283
dependabot[bot]
closed
4 months ago
1
Add oxidation states option to SMACT validity function
#282
AntObi
closed
4 months ago
2
Add oxidation states choice to `smact_validity`
#281
AntObi
closed
4 months ago
1
Bump certifi from 2024.2.2 to 2024.7.4 in /requirements
#280
dependabot[bot]
closed
4 months ago
1
Combined PR
#279
github-actions[bot]
closed
4 months ago
1
Some Boron Oxidation States Missing
#278
AnikenC
closed
4 months ago
2
Bump certifi from 2024.6.2 to 2024.7.4
#277
dependabot[bot]
closed
4 months ago
1
Bump certifi from 2023.7.22 to 2024.7.4 in /docs
#276
dependabot[bot]
closed
4 months ago
1
Bump urllib3 from 2.2.1 to 2.2.2 in /requirements
#275
dependabot[bot]
closed
4 months ago
1
Combined PR
#274
github-actions[bot]
closed
4 months ago
1
Pin numpy<2
#273
AntObi
closed
4 months ago
2
Bump certifi from 2024.2.2 to 2024.6.2
#272
dependabot[bot]
closed
4 months ago
2
Bump pyupgrade from 3.8.0 to 3.16.0
#271
dependabot[bot]
closed
4 months ago
2
Bump requests from 2.32.0 to 2.32.3
#270
dependabot[bot]
closed
4 months ago
2
Bump fonttools from 4.47.0 to 4.53.0
#269
dependabot[bot]
closed
4 months ago
2
ElementCountsParallel example is non deterministic
#268
CompRhys
closed
5 months ago
3
Multi Valence charge balancing
#267
CompRhys
opened
5 months ago
4
Bump urllib3 from 2.1.0 to 2.2.2
#266
dependabot[bot]
closed
4 months ago
2
Bump urllib3 from 2.0.7 to 2.2.2 in /docs
#265
dependabot[bot]
closed
4 months ago
2
Chloe lee doper
#264
JiwooChloeLee
closed
5 months ago
2
Install SMACT from develop branch in notebook example on colab
#263
AntObi
closed
5 months ago
2
Revert "Include SkipSpecies cosine similarities in package files"
#262
AntObi
closed
5 months ago
2
Include SkipSpecies cosine similarities in package files
#261
AntObi
closed
5 months ago
4
[WIP] Add option to use pre-supplied embeddings within SMACT for the dopant_prediction module
#260
AntObi
closed
5 months ago
8
Combined PR
#259
github-actions[bot]
closed
5 months ago
1
Bump nbqa from 1.7.0 to 1.8.5
#258
dependabot[bot]
closed
5 months ago
1
Bump joblib from 1.3.2 to 1.4.2
#257
dependabot[bot]
closed
5 months ago
1
Bump plotly from 5.18.0 to 5.22.0
#256
dependabot[bot]
closed
5 months ago
1
Bump packaging from 23.2 to 24.0
#255
dependabot[bot]
closed
5 months ago
1
Bump ase from 3.22.1 to 3.23.0
#254
dependabot[bot]
closed
5 months ago
1
Use filepath in github to ensure notebook runs in colab runs
#253
AntObi
closed
6 months ago
2
Smact validity
#252
AntObi
closed
6 months ago
2
Bump requests from 2.31.0 to 2.32.2 in /requirements
#251
dependabot[bot]
closed
6 months ago
0
Combined PR
#250
github-actions[bot]
closed
6 months ago
0
Add in a threshold to eliminate species pairs not present in the lambda table
#249
AntObi
closed
6 months ago
1
Bump requests from 2.31.0 to 2.32.0 in /docs
#248
dependabot[bot]
closed
6 months ago
0
Bump requests from 2.31.0 to 2.32.0
#247
dependabot[bot]
closed
6 months ago
0
If eneg None comparison can fail if other criteria are met
#246
CompRhys
closed
6 months ago
2
Combined PR
#245
github-actions[bot]
closed
6 months ago
0
Bump jinja2 from 3.1.3 to 3.1.4 in /docs
#244
dependabot[bot]
closed
6 months ago
0
Bump tqdm from 4.66.2 to 4.66.3 in /requirements
#243
dependabot[bot]
closed
6 months ago
0
Bump tqdm from 4.66.2 to 4.66.3
#242
dependabot[bot]
closed
6 months ago
0
Combined PR
#241
github-actions[bot]
closed
7 months ago
0
Bump pytest from 8.0.0 to 8.2.0
#240
dependabot[bot]
closed
7 months ago
0
Bump pytz from 2023.3.post1 to 2024.1
#239
dependabot[bot]
closed
7 months ago
0
Bump pytest-cov from 4.1.0 to 5.0.0
#238
dependabot[bot]
closed
7 months ago
0
Bump ruamel-yaml from 0.18.5 to 0.18.6
#237
dependabot[bot]
closed
7 months ago
0
Bump pox from 0.3.3 to 0.3.4
#236
dependabot[bot]
closed
7 months ago
0
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