There are questions about the data content

[mh8859]

Hello, the data you gave is the data after processing. Can you give a part of the data that hasn't been processed (or give a link)? The way you handle the data is what's in the utils file?

[Shen-Lab]

Thank you for your interest in our work. Per your question, the data used here was originally curated in the DeepRelations work.

• Please check their paper and supplementary material for detailed descriptions: "Explainable Deep Relational Networks for Predicting Compound--Protein Affinities and Contacts" (Karimi, Wu, Wang and Shen, JCIM 2020).
• Please check their data repository for both the original data and the processing scripts. Note that back then residue-residue contact graphs in proteins were predicted from sequences using RaptorX-Contact. They can now be derived directly from protein structures, experimentally determined (PDB) or computationally predicted (AlphaFold2).