Whole structure/sequence modified during despite training only on codesign_single_gnn

[Melissaurious]

Hello!

I used the training and inference scripts and configurations provided, however, when I analyze my results I see that even that the reference and the mutant structure almost overlap, the sequence of the whole structure changed and therefore, I cannot locate the CDRs automatically following the chothia numbering as the conserved positions are no longer there.

Do you have any suggestions? As I gave as input the config json files, I dont see how it could had been mixed up with the fixbb training mode.