Alex Moriarty

3 weeks ago | zenodo.org | Anthony Onwuli |Alex Moriarty |Dan Davies |Aron Walsh

<!-- Release notes generated using configuration in .github/release.yml at master --> What's Changed SMACT Metallicity Handling Enhancements by @ryannduma in https://github.com/WMD-group/SMACT/pull/367 Changes to the smact_validity function to allow for early short-circuiting resolving issue #378 by @ryannduma in https://github.com/WMD-group/SMACT/pull/379 Merge develop into master branch by @AntObi in https://github.com/WMD-group/SMACT/pull/392 Updated oxidation.py and its tests by @KingaMas...

Jan 13, 2025 | zenodo.org | Anthony Onwuli |Alex Moriarty |Dan Davies |Aron Walsh

<!-- Release notes generated using configuration in .github/release.yml at master --> What's Changed Make the Materials Project tests optional by @AntObi in https://github.com/WMD-group/SMACT/pull/360 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...

Jul 10, 2024 | zenodo.org | Anthony Onwuli |Alex Moriarty |Dan Davies |Adam Jackson |Aron Walsh |Jonathan M. Skelton | +5 more

<!-- Release notes generated using configuration in .github/release.yml at master --> What's Changed 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 Fix tests by @AntObi in https://github.com/WMD-group/SMACT/pull/233 If eneg None...