chainer_chemistry.datasets.qm9.get_qm9¶
-
chainer_chemistry.datasets.qm9.
get_qm9
(preprocessor=None, labels=None, return_smiles=False, target_index=None)[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. - target_index (list or None) – target index list to partially extract dataset. If None (default), all examples are parsed.
Returns: dataset, which is composed of features, which depends on preprocess_method.