Update

dataloader.py

@@ -15,9 +15,15 @@
 parser = argparse.ArgumentParser()
 parser.add_argument('--root', type=str, choices=['MoleculeNet, DrugBank, BIOSNAP, LITPCBA, CoCrystal'],
                         help='choose the dataset, start with the path to dataset dir.')
-parser.add_argument('--dataset', default='tox21', type=str)
+parser.add_argument('--dataset', type=str,
+                    choices=['MoleculeNet: bbbp', 'MoleculeNet: bace', 'MoleculeNet: sider', 'MoleculeNet: tox21',
+                             'MoleculeNet: toxcast','MoleculeNet: esol', 'MoleculeNet: lipo', 'MoleculeNet: freesolv',
+                             'LIT-PCBA: ALDH1', 'LIT-PCBA: FEN1', 'LIT-PCBA: GBA', 'LIT-PCBA: KAT2A',
+                             'LIT-PCBA: MAPK1', 'LIT-PCBA: PKM2', 'LIT-PCBA: VDR',
+                             'DrugBank: DrugBank', 'CoCrystal: CoCrystal', 'BIOSNAP: BIOSNAP'],
+                    help='dataset is directly related to root.')
 parser.add_argument('--split', type=str, choices=['smi, smi1, smi2, random'],
-                    help='Choose a data splitting method.')  #  MoleculeNet and LITPCBA we use smi, DrugBank, BIOSNAP and CoCrystal we use smi1, smi1
+                    help='Choose a data splitting method.')  #  MoleculeNet and LITPCBA we use smi, DrugBank, BIOSNAP and CoCrystal we use smi1, smi2
 parser.add_argument('--seed', default=4567, type=int, choices=[1234, 4567, 7890],
                     help='Initialize random number seeds for model training and data splitting.')
 parser.add_argument('--device', default='cuda', type=str,