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import torch
from torchdrug import data, datasets
dataset = datasets.ChEMBLFiltered("~/molecule-datasets/")fails with
~/opt/anaconda3/envs/drugs/lib/python3.8/site-packages/torchdrug/datasets/chembl_filtered.py in _load_chembl_with_labels_dataset(root_path)
103 def _load_chembl_with_labels_dataset(root_path):
104 # 1. load folds and labels
--> 105 f=open(os.path.join(root_path, 'folds0.pckl'), 'rb')
106 folds=pickle.load(f)
107 f.close()
FileNotFoundError: [Errno 2] No such file or directory: './temp/chem_dataset/dataset/chembl_filtered/raw/folds0.pckl'
However, file folds0.pckl is written to
~/molecule-datasets/chem_dataset/dataset/chembl_filtered/raw/folds0.pckl
ChEMBLFiltered seems to download all MoleculeNet related datasets.
Is that intended behaviour?
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