Errors when trying to run the generate_from_csv.py and generate_from_smiles.py scripts

[diliadis]

Hello,

Thanks for making avgflow available. I am very eager to test the tool!
After installing the conda environment according to the documentation, I wanted to do a few test runs with the generate_from_csv.py and generate_from_smiles.py scripts. Both scripts seem to fail with the same message:

from preprocess import mol2features
ModuleNotFoundError: No module named 'preprocess'

After opening both scripts I see that there is also a path that points to what I assume is the local system of zhonglinc's machine
As a result the mol2features function used by both scripts is not available.

It would be great if you can include the data_preprocessing files in the repo and probably clean up these hardcoded paths!

Thanks,
Dimi

[zcao0420]

Hello Dimi,

Thank you for your interest in our work and for spotting out the issue. I just pushed a fix so it should be working now. Feel free to reach out again if there is any other issue.

Best,
Zhonglin