Scaffold split#81

Merged

EBjerrum merged 17 commits intoEBjerrum:scaffold_splitfrom

batukav:scaffold_split

Aug 16, 2025

Commits on Jun 6, 2025

Commits on Jul 7, 2025

update gitignore to ignore windsurf rules file
batukav
committed
A working example of the StratifiedGroupShuffleSplit for the scikit-mol. After the review is complete, I'll continue with the proper implementation
batukav
committed
update the notebook with more test cases.
batukav
committed

Commits on Jul 10, 2025

Initial commit for the refactored MurckoScaffoldSplit transformer
batukav
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Initial tests for the MolToScaffoldTransformer with Mucko scaffold as the default. These tests will need to be extended as more scaffolds transformations are implemented.
batukav
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Initial commit for the StratifiedGroupShuffleSplit
batukav
committed