Encountering an error while trying to run the encode_compound.py script for the PubChem23 dataset.
linhduongtuan opened this issue · comments
Dear Mr. Philipp Seidl,
I appreciate your keen work.
I am encountering an error while trying to run the encode_compound.py script for the PubChem23 dataset. I am not sure if the error is due to the downloaded dataset or if there is a bug in the script. Can you please help me look at the attached file?
Hi Linh,
thanks for your interest in our work.
There seems to be an error parsing one of the assay zip files.
Two things: We will add a try-catch block for invalid zip files, and additionally we will upload a preprocessed version of pubchem23 to make it more comparable.
Best, Philipp
Just pushed the changes, please inform us if that resolved the issue.
Best, Philipp