chainer_chemistry.datasets.molnet.get_molnet_dataframe

chainer_chemistry.datasets.molnet.get_molnet_dataframe(dataset_name)

Downloads, caches and get the dataframe of MoleculeNet dataset.

Parameters:dataset_name (str) – MoleculeNet dataset name. If you want to know the detail of MoleculeNet, please refer to official site If you would like to know what dataset_name is available for chainer_chemistry, please refer to molnet_config.py.

Returns (pandas.DataFrame or tuple):

DataFrame of dataset without any preprocessing. When the files of dataset are seprated, this function returns multiple DataFrame.