The results of hyperparameter optimization for the DBX2 model are summarized in Table . The best-performing hyperparameters were an RMSD cut-off of 10 Å, nrof-neigh of 30, and a loss graph weight of 0.02, yielding a success rate of around 60%. This underscores the significance of a higher RMSD cut-off and wider neighborhood size in enhancing model accuracy.