.gitignore
LICENSE
README.md
env.yml
mkdocs.yml
pyproject.toml
.github/CODEOWNERS
.github/CODE_OF_CONDUCT.md
.github/PULL_REQUEST_TEMPLATE.md
.github/workflows/code-check.yml
.github/workflows/doc.yml
.github/workflows/release.yml
.github/workflows/test.yml
docs/index.md
docs/api/plot.md
docs/api/simpd.md
docs/api/splito.md
docs/api/utils.md
docs/assets/css/custom-splito.css
docs/images/logo-black.svg
docs/images/logo-white.svg
docs/tutorials/MOOD_Protocol.ipynb
docs/tutorials/MPO_Splitters.ipynb
docs/tutorials/Other_Splitters.ipynb
docs/tutorials/Structure_based_Splitters.ipynb
docs/tutorials/The_Basics.ipynb
docs/tutorials/utils.py
splito/__init__.py
splito/_distance_split_base.py
splito/_distribution_split.py
splito/_kmeans_split.py
splito/_max_dissimilarity_split.py
splito/_min_max_split.py
splito/_molecular_weight.py
splito/_mood_split.py
splito/_perimeter_split.py
splito/_scaffold_split.py
splito/plot.py
splito/utils.py
splito.egg-info/PKG-INFO
splito.egg-info/SOURCES.txt
splito.egg-info/dependency_links.txt
splito.egg-info/requires.txt
splito.egg-info/top_level.txt
splito/simpd/__init__.py
splito/simpd/callbacks.py
splito/simpd/clusters.py
splito/simpd/descriptors.py
splito/simpd/distance.py
splito/simpd/ga.py
splito/simpd/preprocess.py
splito/simpd/problem.py
splito/simpd/simpd.py
splito/simpd/splitter.py
tests/conftest.py
tests/test_distribution_split.py
tests/test_kmeans_split.py
tests/test_max_dissimilarity_split.py
tests/test_min_max_split.py
tests/test_mood_split.py
tests/test_mw_split.py
tests/test_perimeter_split.py
tests/test_scaffold_split.py
tests/test_simpd.py