Supplementary Data for: Representation-aware conformal prediction for reliable uncertainty quantification in drug-target affinity

This dataset contains the supplementary protein prediction files for the manuscript titled "Representation-aware conformal prediction for reliable uncertainty quantification in drug-target affinity". The dataset is structured into the following directories for both Davis and KIBA benchmark datasets: DavisPDB / KIBAPDB: Predicted 3D protein structures. davis_pssm_results / kiba_pssm_results: Position-Specific Scoring Matrix (PSSM) evolutionary features. Davis_p2rank_results / KIBA_p2rank_results: Protein ligand binding site predictions generated by p2rank.