Source code for torchdrug.datasets.sider

import os

from torchdrug import data, utils
from torchdrug.core import Registry as R

[docs]@R.register("datasets.SIDER") @utils.copy_args(data.MoleculeDataset.load_csv, ignore=("smiles_field", "target_fields")) class SIDER(data.MoleculeDataset): """ Marketed drugs and adverse drug reactions (ADR) dataset, grouped into 27 system organ classes. Statistics: - #Molecule: 1,427 - #Classification task: 27 Parameters: path (str): path to store the dataset verbose (int, optional): output verbose level **kwargs """ url = "" md5 = "77c0ef421f7cc8ce963c5836c8761fd2" target_fields = None # pick all targets def __init__(self, path, verbose=1, **kwargs): path = os.path.expanduser(path) if not os.path.exists(path): os.makedirs(path) self.path = path zip_file =, path, md5=self.md5) csv_file = utils.extract(zip_file) self.load_csv(csv_file, smiles_field="smiles", target_fields=self.target_fields, verbose=verbose, **kwargs)