LICENSE
README.md
setup.py
mol_translator/__init__.py
mol_translator/aemol.py
mol_translator.egg-info/PKG-INFO
mol_translator.egg-info/SOURCES.txt
mol_translator.egg-info/dependency_links.txt
mol_translator.egg-info/requires.txt
mol_translator.egg-info/top_level.txt
mol_translator/cleaning/__init__.py
mol_translator/cleaning/checks.py
mol_translator/cleaning/sanitize/__init__.py
mol_translator/cleaning/sanitize/charge_ops.py
mol_translator/cleaning/sanitize/rdkit_standardise.py
mol_translator/comp_chem/__init__.py
mol_translator/comp_chem/gaussian/__init__.py
mol_translator/comp_chem/gaussian/gaussian_input.py
mol_translator/comp_chem/gaussian/gaussian_read.py
mol_translator/comp_chem/orca/__init__.py
mol_translator/comp_chem/orca/orca_input.py
mol_translator/comp_chem/orca/orca_read.py
mol_translator/conformer/__init__.py
mol_translator/conformer/aeconf.py
mol_translator/preprocessing/__init__.py
mol_translator/preprocessing/dataframe_converter/__init__.py
mol_translator/preprocessing/dataframe_converter/dataframe_prep.py
mol_translator/preprocessing/dataframe_converter/dataframe_read.py
mol_translator/preprocessing/dataframe_converter/dataframe_write.py
mol_translator/preprocessing/descriptor/__init__.py
mol_translator/preprocessing/descriptor/descriptor_gen.py
mol_translator/preprocessing/descriptor/atom_descriptors/__init__.py
mol_translator/preprocessing/descriptor/atom_descriptors/openbabel_atom_descriptors.py
mol_translator/preprocessing/descriptor/atom_descriptors/rdkit_atom_descriptors.py
mol_translator/preprocessing/descriptor/pair_descriptors/__init__.py
mol_translator/preprocessing/descriptor/pair_descriptors/openbabel_pair_descriptors.py
mol_translator/preprocessing/descriptor/pair_descriptors/rdkit_pair_descriptors.py
mol_translator/properties/__init__.py
mol_translator/properties/property_io.py
mol_translator/properties/binding/__init__.py
mol_translator/properties/binding/binding_read.py
mol_translator/properties/charge/__init__.py
mol_translator/properties/charge/charge_read.py
mol_translator/properties/energy/__init__.py
mol_translator/properties/energy/energy_read.py
mol_translator/properties/nmr/__init__.py
mol_translator/properties/nmr/nmr_ops.py
mol_translator/properties/nmr/nmr_read.py
mol_translator/properties/nmr/nmr_write.py
mol_translator/scripts/__init__.py
mol_translator/scripts/dataframe_parse.py
mol_translator/scripts/dataset_parse.py
mol_translator/structure/__init__.py
mol_translator/structure/find_num_bonds.py
mol_translator/structure/find_paths.py
mol_translator/structure/openbabel_converter.py
mol_translator/structure/rdkit_converter.py
mol_translator/structure/structure_write.py
mol_translator/util/__init__.py
mol_translator/util/bond_lengths.py
mol_translator/util/custom_errors.py
mol_translator/util/periodic_table.py
mol_translator/util/targetflag.py