LICENSE
MANIFEST.in
README.md
requirements.txt
setup.py
DORA_XGB/DORA_XGB.py
DORA_XGB/__init__.py
DORA_XGB.egg-info/PKG-INFO
DORA_XGB.egg-info/SOURCES.txt
DORA_XGB.egg-info/dependency_links.txt
DORA_XGB.egg-info/requires.txt
DORA_XGB.egg-info/top_level.txt
DORA_XGB/cofactors/expanded_cofactors_no_stereochem.tsv
DORA_XGB/featurizations/__init__.py
DORA_XGB/featurizations/featurizations.py
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_add_concat.pkl
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_add_concat_feasibility_threshold.txt
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_add_subtract.pkl
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_add_subtract_feasibility_threshold.txt
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_by_ascending_MW.pkl
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_by_ascending_MW_feasibility_threshold.txt
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_by_descending_MW.pkl
DORA_XGB/models/main/all_BKM_rxns_ecfp4_XGBoost_4_by_descending_MW_feasibility_threshold.txt
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_add_concat.pkl
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_add_concat_feasibility_threshold.txt
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_add_subtract.pkl
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_add_subtract_feasibility_threshold.txt
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_by_ascending_MW.pkl
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_by_ascending_MW_feasibility_threshold.txt
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_by_descending_MW.pkl
DORA_XGB/models/spare/xgboost_ecfp4_2048_4_by_descending_MW_feasibility_threshold.txt
tests/__init__.py
tests/test_featurizations.py