Datasets

Dataset implementations

chainer_chemistry.datasets.NumpyTupleDataset Dataset of a tuple of datasets.

Dataset loaders

chainer_chemistry.datasets.tox21.get_tox21 Downloads, caches and preprocesses Tox21 dataset.
chainer_chemistry.datasets.qm9.get_qm9 Downloads, caches and preprocesses QM9 dataset.
chainer_chemistry.datasets.molnet.get_molnet_dataset Downloads, caches and preprocess MoleculeNet dataset.
chainer_chemistry.datasets.molnet.get_molnet_dataframe Downloads, caches and get the dataframe of MoleculeNet dataset.