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Latest version: v3.0.2

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3.0.2

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed
๐Ÿงช Tests
* Make the Materials Project tests optional by AntObi in https://github.com/WMD-group/SMACT/pull/360
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Correct the python version in the docs by KingaMas in https://github.com/WMD-group/SMACT/pull/359
* Include crystal space utils in package build by AntObi in https://github.com/WMD-group/SMACT/pull/361

New Contributors
* KingaMas made their first contribution in https://github.com/WMD-group/SMACT/pull/359

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v3.0.1...v3.0.2

3.0.1

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed
๐ŸŽ‰ New Features
* Update doper.py with latest changes including a combined selectivity x similarity metric by AntObi in https://github.com/WMD-group/SMACT/pull/351
* Fix `optional` extras for installation
๐Ÿงช Tests
* Updated MP test files for the Structure prediction module by AntObi in https://github.com/WMD-group/SMACT/pull/350
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Merge master into develop branch by AntObi in https://github.com/WMD-group/SMACT/pull/335
* Update develop branch in line with master branch by AntObi in https://github.com/WMD-group/SMACT/pull/349
* Merge develop branch into master by AntObi in https://github.com/WMD-group/SMACT/pull/352


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v3.0...v3.0.1

3.0

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed
๐Ÿ’ฅ Breaking Changes
* Change default oxidation states from SMACT14 to ICSD24 by AntObi in https://github.com/WMD-group/SMACT/pull/346
๐ŸŽ‰ New Features
* [WIP] Documentation overhaul by AntObi in https://github.com/WMD-group/SMACT/pull/309
* Oxidation States 24 by AntObi in https://github.com/WMD-group/SMACT/pull/329
* Structure prediction fixes by AntObi in https://github.com/WMD-group/SMACT/pull/336
๐Ÿ›  Enhancements
* Move towards using Ruff as a linter and formatter by AntObi in https://github.com/WMD-group/SMACT/pull/302
* Fix documentation and tutorial notebooks ahead of new release by AntObi in https://github.com/WMD-group/SMACT/pull/334
* Migrate CI dependency installation from pip to uv by AntObi in https://github.com/WMD-group/SMACT/pull/338
* Change default oxidation states from SMACT14 to ICSD24 by AntObi in https://github.com/WMD-group/SMACT/pull/346
๐Ÿ“– Documentation
* Add Crystal Space and Oxidation Utilities to the Documentation by AntObi in https://github.com/WMD-group/SMACT/pull/337
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Docs updates by AntObi in https://github.com/WMD-group/SMACT/pull/303
* Merge the develop branch into the master branch by AntObi in https://github.com/WMD-group/SMACT/pull/330
* Download crystal space optional dependencies in ci by AntObi in https://github.com/WMD-group/SMACT/pull/331
* Try MP_API_KEY in Github Actions by AntObi in https://github.com/WMD-group/SMACT/pull/332
* Fix the documentation by AntObi in https://github.com/WMD-group/SMACT/pull/333
* Bump release v3 by AntObi in https://github.com/WMD-group/SMACT/pull/347


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.8...v3.0

2.8

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Bump minimum python version to 3.10 and update metadata by AntObi in https://github.com/WMD-group/SMACT/pull/318


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.7...v2.8

2.7

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed
๐ŸŽ‰ New Features
* Utility module updates by AntObi in https://github.com/WMD-group/SMACT/pull/307
* Merge develop into master branch by AntObi in https://github.com/WMD-group/SMACT/pull/306
๐Ÿ›  Enhancements
* Nvalence_modification by AntObi in https://github.com/WMD-group/SMACT/pull/290
* Develop branch updates in preparation for new release by AntObi in https://github.com/WMD-group/SMACT/pull/308
๐Ÿคทโ€โ™‚๏ธ Other Changes
* Magpie data updates by AntObi in https://github.com/WMD-group/SMACT/pull/289
* Restrict pymatgen version due to windows by AntObi in https://github.com/WMD-group/SMACT/pull/301
* Dependabot updates by AntObi in https://github.com/WMD-group/SMACT/pull/298
* VEC function integration into smact.properties with a test file to serve as an example for its use. by ryannduma in https://github.com/WMD-group/SMACT/pull/305

New Contributors
* ryannduma made their first contribution in https://github.com/WMD-group/SMACT/pull/305

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.6...v2.7

2.6

<!-- Release notes generated using configuration in .github/release.yml at master -->

What's Changed

๐ŸŽ‰ New Features
* `smact_validity` function now available to check if a composition would pass the SMACT chemical filters by AntObi in https://github.com/WMD-group/SMACT/pull/252
* [WIP] Add option to use pre-supplied embeddings within SMACT for the dopant_prediction module by AntObi in https://github.com/WMD-group/SMACT/pull/260

๐Ÿ› Bug Fixes

* Fix tests by AntObi in https://github.com/WMD-group/SMACT/pull/233
* If eneg None comparison can fail if other criteria are met by CompRhys in https://github.com/WMD-group/SMACT/pull/246
* Pin numpy<2 by AntObi in https://github.com/WMD-group/SMACT/pull/273

๐Ÿ“– Documentation
* fix: docstring consistency in screening.py by dandavies99 in https://github.com/WMD-group/SMACT/pull/207


๐Ÿ›  Enhancements
* modify test_doper - softmax add up to 1 by JiwooChloeLee in https://github.com/WMD-group/SMACT/pull/197
* Chloe lee doper by JiwooChloeLee in https://github.com/WMD-group/SMACT/pull/229
* Use species from CationMutator instead of default SMACT elements by AntObi in https://github.com/WMD-group/SMACT/pull/235
* Add in a threshold to eliminate species pairs not present in the lambda table by AntObi in https://github.com/WMD-group/SMACT/pull/249
* Use filepath in github to ensure notebook runs in colab runs by AntObi in https://github.com/WMD-group/SMACT/pull/253
* Include SkipSpecies cosine similarities in package files by AntObi in https://github.com/WMD-group/SMACT/pull/261
* Add oxidation states option to SMACT validity function by AntObi in https://github.com/WMD-group/SMACT/pull/282
* Add `cmap` option to doper plots by AntObi in https://github.com/WMD-group/SMACT/pull/285


๐Ÿ’ฅ Breaking Changes
* Dropping Python 3.8 support by AntObi in https://github.com/WMD-group/SMACT/pull/234

๐Ÿคทโ€โ™‚๏ธ Other Changes
* Revert "Include SkipSpecies cosine similarities in package files" by AntObi in https://github.com/WMD-group/SMACT/pull/262
* Install SMACT from develop branch in notebook example on colab by AntObi in https://github.com/WMD-group/SMACT/pull/263


New Contributors
* CompRhys made their first contribution in https://github.com/WMD-group/SMACT/pull/246

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.5.5...v2.6

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