chainer_chemistry.datasets.qm9.get_qm9¶

chainer_chemistry.datasets.qm9.get_qm9(preprocessor=None, labels=None, return_smiles=False)[source]¶

Downloads, caches and preprocesses QM9 dataset.

Parameters:	preprocessor (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:	dataset, which is composed of features, which depends on preprocess_method.