LICENSE
README.md
setup.py
acm_hamburg_legacy/AcmErrors.py
acm_hamburg_legacy/AcmPca.py
acm_hamburg_legacy/MoleculePreprocessor.py
acm_hamburg_legacy/MoleculePreprocessorExtended.py
acm_hamburg_legacy/PropertyCalculator.py
acm_hamburg_legacy/__init__.py
acm_hamburg_legacy/setup_hook.py
acm_hamburg_legacy.egg-info/PKG-INFO
acm_hamburg_legacy.egg-info/SOURCES.txt
acm_hamburg_legacy.egg-info/dependency_links.txt
acm_hamburg_legacy.egg-info/requires.txt
acm_hamburg_legacy.egg-info/top_level.txt
acm_hamburg_legacy/funct/AcmOrca.py
acm_hamburg_legacy/funct/CompareSimilarity.py
acm_hamburg_legacy/funct/CreateExcellSheet.py
acm_hamburg_legacy/funct/PatternMatcher.py
acm_hamburg_legacy/funct/__init__.py
acm_hamburg_legacy/preprocessing/__init__.py
acm_hamburg_legacy/preprocessing/acm_csp_pipeline.py
acm_hamburg_legacy/preprocessing/acm_pipeline.py
acm_hamburg_legacy/preprocessing/canonicalize_tautomer.py
acm_hamburg_legacy/preprocessing/do_smiles_roundtrip.py
acm_hamburg_legacy/preprocessing/neutralize_charges.py
acm_hamburg_legacy/preprocessing/strip_salts.py
acm_hamburg_legacy/rule_sets/__init__.py
acm_hamburg_legacy/rule_sets/bms.smarts
acm_hamburg_legacy/rule_sets/chakravorty.smarts
acm_hamburg_legacy/rule_sets/chakravorty_extreme_caution.smarts
acm_hamburg_legacy/rule_sets/cypsmarts.smarts
acm_hamburg_legacy/rule_sets/dundee.smarts
acm_hamburg_legacy/rule_sets/glaxo.smarts
acm_hamburg_legacy/rule_sets/glaxo_reactives.smarts
acm_hamburg_legacy/rule_sets/hitdexter.py
acm_hamburg_legacy/rule_sets/inpharmatica.smarts
acm_hamburg_legacy/rule_sets/lint.smarts
acm_hamburg_legacy/rule_sets/merck.smarts
acm_hamburg_legacy/rule_sets/mlsmr.smarts
acm_hamburg_legacy/rule_sets/ncypsmarts.smarts
acm_hamburg_legacy/rule_sets/neutralization_reactions.py
acm_hamburg_legacy/rule_sets/pains.smarts
acm_hamburg_legacy/rule_sets/patterns.py
acm_hamburg_legacy/rule_sets/sure_chembl.smarts
acm_hamburg_legacy/rule_sets/tautomer_transformations.py
acm_hamburg_legacy/utils/__init__.py
acm_hamburg_legacy/utils/multicore.py