chainer_chemistry.dataset.preprocessors.ECFPPreprocessor

class chainer_chemistry.dataset.preprocessors.ECFPPreprocessor(radius=2)

__init__(radius=2)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__([radius])	Initialize self.
get_input_features(mol)	get molecule’s feature representation, descriptor.
get_label(mol[, label_names])	Extracts label information from a molecule.
prepare_smiles_and_mol(mol)	Prepare smiles and mol used in following preprocessing.
process(filepath)