MANIFEST.in
README.md
pyproject.toml
setup.py
src/csp5/__init__.py
src/csp5/api.py
src/csp5/cli.py
src/csp5/drawing.py
src/csp5/matching.py
src/csp5/matching_cli.py
src/csp5/model_registry.py
src/csp5.egg-info/PKG-INFO
src/csp5.egg-info/SOURCES.txt
src/csp5.egg-info/dependency_links.txt
src/csp5.egg-info/entry_points.txt
src/csp5.egg-info/requires.txt
src/csp5.egg-info/top_level.txt
src/csp5/_native/__init__.py
src/csp5/_native/dp_backend.py
src/csp5/_native/fastmurty_clink.py
src/csp5/_native/murty_backend.py
src/csp5/_native/src/matching_dp.cpp
src/csp5/_native/src/fastmurty/LICENSE
src/csp5/_native/src/fastmurty/da.c
src/csp5/_native/src/fastmurty/da.h
src/csp5/_native/src/fastmurty/murtysplitDense.c
src/csp5/_native/src/fastmurty/murtysplitDense.h
src/csp5/_native/src/fastmurty/murtysplitSparse.c
src/csp5/_native/src/fastmurty/murtysplitSparse.h
src/csp5/_native/src/fastmurty/queue.c
src/csp5/_native/src/fastmurty/queue.h
src/csp5/_native/src/fastmurty/sparsematrix.h
src/csp5/_native/src/fastmurty/sspDense.c
src/csp5/_native/src/fastmurty/sspDense.h
src/csp5/_native/src/fastmurty/sspSparse.c
src/csp5/_native/src/fastmurty/sspSparse.h
src/csp5/_native/src/fastmurty/subproblem.c
src/csp5/_native/src/fastmurty/subproblem.h
src/csp5/_runtime/__init__.py
src/csp5/_runtime/cascade_core.py
src/csp5/_runtime/Predict_SMILES_FF/__init__.py
src/csp5/_runtime/Predict_SMILES_FF/preprocessor_orig.p
src/csp5/_runtime/Predict_SMILES_FF/torch_model.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/__init__.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/layers/__init__.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/layers/layers.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/layers/utils.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/layers/wrappers.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/models/__init__.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/models/losses.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/models/models.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/__init__.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/features.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/preprocessor.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/scaling.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/sequence.py
src/csp5/_runtime/Predict_SMILES_FF/modules/nfp/preprocessing/test.py
src/csp5/models/__init__.py
src/csp5/models/CSP5-13C/best_model.pt
src/csp5/models/CSP5-1H/best_model.pt