Questions for smile_simplification.py

[stepha86]

Hi there,

I have a question regarding the scripts.

When I run the first script, download_zinc15.py, multiple files are downloaded in .smi format. However, when I ran smile_simplification.py, it asked for .txt files, but my files are in .smi format.

I'm a bit confused about this discrepancy. I edited the script to accept .smi files, but the pipeline stopped working in the subsequent scripts. Could you please guide me on how to resolve this issue?

Thank you for your help.