mofdscribe v0.0.3
New features
- We implement interfaces for custom datasets based on a collection of files and/or a dataframe. As the built-in datasets, those datasets are compatible with mofdscribe features such as
Splitters
(#396)
Bugfixes
- pymatgen 2022-11-1 changed to order of args in
Structure.to
which was incompatible with our use (#391)