RXN reaction preprocessing
README
Python API
rxn.reaction_preprocessing
rxn.reaction_preprocessing.annotations
rxn.reaction_preprocessing.augmenter
rxn.reaction_preprocessing.cleaner
rxn.reaction_preprocessing.config
rxn.reaction_preprocessing.importer
rxn.reaction_preprocessing.main
rxn.reaction_preprocessing.mixed_reaction_filter
rxn.reaction_preprocessing.molecule_standardizer
rxn.reaction_preprocessing.pistachio_record_standardizer
rxn.reaction_preprocessing.preprocessor
rxn.reaction_preprocessing.reaction_standardizer
rxn.reaction_preprocessing.scripts
rxn.reaction_preprocessing.smiles_tokenizer
rxn.reaction_preprocessing.special_tokens
rxn.reaction_preprocessing.stable_data_splitter
rxn.reaction_preprocessing.standardizer
rxn.reaction_preprocessing.utils
rxn.reaction_preprocessing.utils.add_custom_logger_to_file
rxn.reaction_preprocessing.utils.data_directory
rxn.reaction_preprocessing.utils.get_atoms_for_mols
rxn.reaction_preprocessing.utils.get_formal_charge_for_mols
rxn.reaction_preprocessing.utils.overwrite_logging_format
rxn.reaction_preprocessing.utils.reset_random_seed
rxn.reaction_preprocessing.utils.root_directory
rxn.reaction_preprocessing.utils.standardization_files_directory
rxn.reaction_preprocessing.utils.DataSplit
rxn.reaction_preprocessing.utils.MolEquation
rxn.reaction_preprocessing.utils.RandomType
rxn.reaction_preprocessing.utils.ReactionSection
RXN reaction preprocessing
»
API
»
rxn.reaction_preprocessing
»
rxn.reaction_preprocessing.utils
»
rxn.reaction_preprocessing.utils.get_atoms_for_mols
View page source
rxn.reaction_preprocessing.utils.get_atoms_for_mols
rxn.reaction_preprocessing.utils.
get_atoms_for_mols
(
mols
)
[source]
Get the set of atoms for a list of RDKit Mols.
Parameters
mols
(
Iterable
[
Mol
]) –
Return type
Set
[
str
]