README.md
pyproject.toml
src/polymetrix/TSNE_embeddings.py
src/polymetrix/__init__.py
src/polymetrix/constants.py
src/polymetrix/embedding.py
src/polymetrix/kennard_ecfp.py
src/polymetrix/kmeans.py
src/polymetrix/lococv.py
src/polymetrix.egg-info/PKG-INFO
src/polymetrix.egg-info/SOURCES.txt
src/polymetrix.egg-info/dependency_links.txt
src/polymetrix.egg-info/requires.txt
src/polymetrix.egg-info/top_level.txt
src/polymetrix/CONSAL/CONSAL.py
src/polymetrix/datasets/__init__.py
src/polymetrix/datasets/curated_tg_dataset.py
src/polymetrix/datasets/dataset.py
src/polymetrix/featurizers/__init__.py
src/polymetrix/featurizers/base_featurizer.py
src/polymetrix/featurizers/chemical_featurizer.py
src/polymetrix/featurizers/comparator.py
src/polymetrix/featurizers/molecule.py
src/polymetrix/featurizers/multiple_featurizer.py
src/polymetrix/featurizers/polymer.py
src/polymetrix/featurizers/sidechain_backbone_featurizer.py
src/polymetrix/pysr_train_size_plot/random_forest.py
src/polymetrix/pysr_train_size_plot/symbolic_regression.py
src/polymetrix/splitters/__init__.py
src/polymetrix/splitters/splitters.py
src/polymetrix/sybo_1000_r1_fixed_nr/sybo_valid.py
src/polymetrix/sybo_1500_r1_fixed_nr/sybo_valid.py
src/polymetrix/sybo_2000_r1_fixed_nr/sybo_valid.py
src/polymetrix/sybo_500_r1_fixed_nr/sybo_valid.py
src/polymetrix/symbolic_AD_boosting/sybo_AD.py
src/polymetrix/symbolic_boosting_30000/sybo_30000.py
src/polymetrix/symbolic_regression_boosting_sympy/symbolic_boosting_sympy.py
tests/test_descriptor.py
tests/test_integration.py
tests/test_polymer.py
tests/test_sidechain_diversity.py
tests/test_sidechain_length_to_star_attachment_dist_ratio.py
tests/test_start_to_sidechain_min_distance.py