About the dataset

[felixZzzxy]

Hi, I have download the ppbench2024 and I found some PDB dir have peptide.pdb and peptide_fix.pdb, the same for receptor. What's the difference between these two files ? Thanks for your attention.

[EDAPINENUT]

Yes, we use foldx to refine the structure. However, we find it still not well-refined.
We have discussed the problem with the authors at https://github.com/THUNLP-MT/PepGLAD.
The structures they used are well-selected, and we are processing the data as the input for the model.
If the re-processed ones are released, we will inform you A.S.A.P.