Issue with data_test

[zhangsushen1992]

When I try to run the code, the following error was observed. Could you help with fixing the error? Many thanks. It relates to the absence of a test_data group in the dataset. Could possibly have something to do with the updated database.

[cxhernandez]

thanks for the report @zhangsushen1992! Which database were you attempting to download— chembl22 or zinc12?

[zhangsushen1992]

Chembl22

[zhangsushen1992]

When you try to download with download --dataset zinc12, the following error is obtained. I think the link to the url is deprecated.

[cxhernandez]

I'm able to download the cheml22 dataset, so I would expect it to still work as intended. link here:

ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_22/archived/chembl_22_chemreps.txt.gz

I'll have to check to see if something has changed that affects the preprocessing....

When you try to download with download --dataset zinc12, the following error is obtained. I think the link to the url is deprecated.

Ah, yes, looks like http://zinc.docking.org/db/bysubset/13/13_prop.xls is a broken link.

[zhangsushen1992]

Thanks a lot for taking your time to look at the issue. Yes the preprocessing is where there is a bug.