model_selection module: Group splitter #74
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JochenSiegWork
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Add the sklearn GroupShuffleSplit class, which optionally can create splits based on the size of the groups, i.e. the number of samples instead of the number of groups.
This PR makes the splitter available as experimental feature in MolPipeline. However, if it's accepted and merged into sklearn we can remove this PR (or experimental feature) from MolPipeline. See the sklearn PR scikit-learn/scikit-learn#29683