Overview This is the official repository for SMARTPocket, an atomic-level geometric deep learning framework for predicting RNA-small molecule binding pockets directly from three-dimensional structure. Given an RNA structure in PDB format, SMARTPocket outputs a per-residue binding probability score. Contents This record provides the pre-trained model checkpoint and HDF5 datasets required to run inference, training, and evaluation. - model_ckpt.pt — pre-trained SMARTPocket model checkpoint. Place at save/SMARTPocket/model_ckpt.pt. - hariboss.h5 — HARIBOSS HDF5 dataset for training and evaluation. Place at data/h5_files/hariboss.h5. - single_chain.h5 — single-chain benchmark HDF5 dataset. Place at data/h5_files/single_chain.h5. Code and full documentation: https://github.com/AIDD-LiLab/SMARTPocket