Therefore, we provide a split of the PDBBind dataset (refined plus core set) following the reorganisation proposed by Li et al. , named (LP)-PDBbind (Leak Proof PDBbind). In their proposal, they introduced a new split of the PDBbind to control data leakage bias, considering the identity of the target sequence (cutoff of 0.5 sequence identity) and structural similarity between the ligands (cutoff of 0.99 Dice similarity using 1024-bit Morgan fingerprints). In this work, we provide the same split used in the (LP)-PDBbind but retaining only complexes from the refined dataset, ensuring an unbiased data split of high-quality protein-ligand structures.