Using QuickBind for virtual screening

[liyue9129]

Hi！
Great work ！
I want to use QuickBind for virtual screening, but after carefully reviewing the virtual_screening.ipynb, I didn't find any code for protein-ligand preprocessing. Should inference.py be used with the parameter --output_s True, as in the Binding affinity prediction section of the README?
How can I use QuickBind to predict the affinity of specific protein-ligand pairs (such as a protein downloaded from PDB and ligand molecules with only SMILES string) or could you provide the preprocessing code(such as generating embeddings)?

Thank you!
Best wishes!

[KW-X-2023]

Hello, have you already downloaded the QuickBind dataset? If so, could you share a copy with me?