chainer_chemistry.datasets.tox21.get_tox21¶

chainer_chemistry.datasets.tox21.get_tox21(preprocessor=None, labels=None, return_smiles=False)[source]¶

Downloads, caches and preprocesses Tox21 dataset.

Parameters:	preprocesssor (BasePreprocessor) – Preprocessor. This should be chosen based on the network to be trained. If it is None, default AtomicNumberPreprocessor is used. labels (str or list) – List of target labels. return_smiles (bool) – If set to True, smiles array is also returned.
Returns:	The 3-tuple consisting of train, validation and test datasets, respectively. Each dataset is composed of features, which depends on preprocess_method.