LICENSE
README.md
pyproject.toml
src/chemsplit/__init__.py
src/chemsplit/__main__.py
src/chemsplit/_devtools.py
src/chemsplit/_fp_similarity.py
src/chemsplit/_optimize.py
src/chemsplit/_pair_assign.py
src/chemsplit/_unionfind.py
src/chemsplit/audit.py
src/chemsplit/base.py
src/chemsplit/cli.py
src/chemsplit/clustering.py
src/chemsplit/datasets.py
src/chemsplit/determinism.py
src/chemsplit/exceptions.py
src/chemsplit/metrics.py
src/chemsplit/preprocess.py
src/chemsplit/registry.py
src/chemsplit/scaffolds.py
src/chemsplit/types.py
src/chemsplit.egg-info/PKG-INFO
src/chemsplit.egg-info/SOURCES.txt
src/chemsplit.egg-info/dependency_links.txt
src/chemsplit.egg-info/entry_points.txt
src/chemsplit.egg-info/requires.txt
src/chemsplit.egg-info/top_level.txt
src/chemsplit/featurizers/__init__.py
src/chemsplit/featurizers/descriptors.py
src/chemsplit/featurizers/fingerprints.py
src/chemsplit/featurizers/precomputed.py
src/chemsplit/splitters/__init__.py
src/chemsplit/splitters/baseline.py
src/chemsplit/splitters/biomolecular.py
src/chemsplit/splitters/embedding.py
src/chemsplit/splitters/lineage.py
src/chemsplit/splitters/property_.py
src/chemsplit/splitters/protocol.py
src/chemsplit/splitters/scaffold.py
src/chemsplit/splitters/similarity.py
src/chemsplit/splitters/task.py
tests/test_api_contract.py
tests/test_audit.py
tests/test_base.py
tests/test_cli.py
tests/test_clustering.py
tests/test_datasets.py
tests/test_determinism.py
tests/test_determinism_lint.py
tests/test_devtools.py
tests/test_exceptions.py
tests/test_featurizers.py
tests/test_fp_similarity.py
tests/test_golden.py
tests/test_metrics.py
tests/test_optimize.py
tests/test_package_import.py
tests/test_pair_assign.py
tests/test_preprocess.py
tests/test_property_based.py
tests/test_registry.py
tests/test_scaffolds.py
tests/test_unionfind.py