CONTRIBUTING.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements.txt
ugropy/__init__.py
ugropy/constants.py
ugropy/groups.py
ugropy.egg-info/PKG-INFO
ugropy.egg-info/SOURCES.txt
ugropy.egg-info/dependency_links.txt
ugropy.egg-info/requires.txt
ugropy.egg-info/top_level.txt
ugropy/core/__init__.py
ugropy/core/checks.py
ugropy/core/composed.py
ugropy/core/detect_model_groups.py
ugropy/core/draw_molecule.py
ugropy/core/fit_atoms_indexes.py
ugropy/core/fragmentation_object.py
ugropy/core/get_model_groups.py
ugropy/core/get_rdkit_object.py
ugropy/core/problematics.py
ugropy/fragmentation_models/__init__.py
ugropy/fragmentation_models/fragmentation_model.py
ugropy/fragmentation_models/gibbs_model.py
ugropy/fragmentation_models/models.py
ugropy/fragmentation_models/prop_estimator.py
ugropy/groupscsv/problematic_structures.csv
ugropy/groupscsv/constantinou_gani/primary/c_g_prymary_subgroups.csv
ugropy/groupscsv/constantinou_gani/primary/cg_problematics.csv
ugropy/groupscsv/constantinou_gani/primary/hideouts.csv
ugropy/groupscsv/constantinou_gani/primary/properties_prymary_contrib.csv
ugropy/groupscsv/constantinou_gani/secondary/structures.csv
ugropy/groupscsv/joback/joback_problematics.csv
ugropy/groupscsv/joback/joback_subgroups.csv
ugropy/groupscsv/joback/properties_contrib.csv
ugropy/groupscsv/psrk/hideouts.csv
ugropy/groupscsv/psrk/psrk_info.csv
ugropy/groupscsv/psrk/psrk_maingroups.csv
ugropy/groupscsv/psrk/psrk_subgroups.csv
ugropy/groupscsv/unifac/hideouts.csv
ugropy/groupscsv/unifac/unifac_info.csv
ugropy/groupscsv/unifac/unifac_maingroups.csv
ugropy/groupscsv/unifac/unifac_subgroups.csv
ugropy/properties/__init__.py
ugropy/properties/joback_properties.py
ugropy/writers/__init__.py
ugropy/writers/clapeyron.py
ugropy/writers/thermo.py
ugropy/writers/clapeyron_writers/__init__.py
ugropy/writers/clapeyron_writers/critical.py
ugropy/writers/clapeyron_writers/molar_mass.py
ugropy/writers/clapeyron_writers/psrk_groups.py
ugropy/writers/clapeyron_writers/unifac_groups.py