README.md
pyproject.toml
src/CASCADE_nu.egg-info/PKG-INFO
src/CASCADE_nu.egg-info/SOURCES.txt
src/CASCADE_nu.egg-info/dependency_links.txt
src/CASCADE_nu.egg-info/entry_points.txt
src/CASCADE_nu.egg-info/requires.txt
src/CASCADE_nu.egg-info/top_level.txt
src/cascade_x/__init__.py
src/cascade_x/api.py
src/cascade_x/cli.py
src/cascade_x/matching.py
src/cascade_x/matching_cli.py
src/cascade_x/model_registry.py
src/cascade_x/_runtime/__init__.py
src/cascade_x/_runtime/cascade_core.py
src/cascade_x/_runtime/Predict_SMILES_FF/__init__.py
src/cascade_x/_runtime/Predict_SMILES_FF/preprocessor_orig.p
src/cascade_x/_runtime/Predict_SMILES_FF/torch_model.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/__init__.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/layers/__init__.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/layers/layers.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/layers/utils.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/layers/wrappers.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/models/__init__.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/models/losses.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/models/models.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/__init__.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/features.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/preprocessor.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/scaling.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/sequence.py
src/cascade_x/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/test.py
src/cascade_x/models/__init__.py
src/cascade_x/models/cascade_13c_20260312_13c_joint_component_from_assigned_normboth/best_model.pt
src/cascade_x/models/cascade_1h_20260312_1h_joint_component_from_assigned_normboth/best_model.pt
tests/test_matching.py
tests/test_precomputed_prediction.py