- Download the dataset archive
crossdocked_pocket10.tar.gzfrom this link. - Extract the TAR archive using the command:
tar -xzvf crossdocked_pocket10.tar.gz. - Dataset is split into
train,val, andtestsets according to split_by_name.pt.
crossdocked_pocket10.tar.gz from this link.tar -xzvf crossdocked_pocket10.tar.gz.train, val, and test sets according to split_by_name.pt.