Could you provide raw data of pdbbind2020?

[lkfo415579]

In the paper pdb are prepared by Schrodinger 2020, would you please provide the prepared raw pdb data to me? and the corresponding pdb id of train and validation split?

By the way, have you guys ever thought about the angle between ligand atom and residue atom? and specific non-covalent bond interaction, for instance, hydrogen-bond, salt-bridge, and hydrophobic interaction?

Thanks for your wonderful job.

[sc8668]

The pdb IDs of validation sets have been uploaded as data/val_set1, and we will uploaded the prepared complexes at https://zenodo.org/record/6623202 in the next few days.

In this version we just considered the distances between the ligand atom and residue atom.

[baohuazhang]

Hello, have you already uploaded the processed complexes at https://zenodo.org/record/6623202 ? I couldn't find it.