About preprocess_data.py

[neomacple]

Hello,

What is this script for?

And is it mandatory for the existing protein in PDBBind dataset or just for new one?

Please check the sciprt doesn't have a parameter named "complexes_file".

[wendao]

This script generates heterograph-[name].pt and rdkit_ligand-[name].pkl files in the cache folder.
After modifying some key names, it should run successfully (refer to #4).