This release contains the usual dependency compatibility updates, as well as:
- new
impute_nan
setting to many featurizers, that allows missing features to be imputed automatically as the mean of the remainder of that column. This is particularly helpful when e.g., trying to use a feature that uses elemental data on a dataset where maybe one row contains an element not present in the dataset (#892) - added a featurizer based on elemental pseudo-inverse of tabulated optical/transport data (#892)
What's Changed
- Optical and transport data as elemental pseudo-inverse contributions by @gbrunin in #892
- Do not run test PyPI build on forks by @ml-evs in #933
- Added missing
impute_nan
forWenAlloys
and removed unnecessary warning by @gbrunin in #937 - Suppress pymatgen element data warnings when imputing by @ml-evs in #934
- Disable release creation workflow on forks by @gbrunin in #940
- Bug fixes in pseudo inverse computations by @gbrunin in #942
- Disable test PyPI build by @ml-evs in #941
- Automatic deps upgrades by @ml-evs in #944
- spglib 2.5 compatibility by @esoteric-ephemera in #943
- Support NumPy 2 by @DanielYang59 in #949
New Contributors
- @gbrunin made their first contribution in #892
- @esoteric-ephemera made their first contribution in #943
Full Changelog: v0.9.2...v0.9.3