HITS Inc.'s models and data for Dacon challenge, Jump AI 2023

Here deposits model and data files developed during HITS Inc.'s participation in the Dacon challenge, Jump AI 2023: https://dacon.io/competitions/official/236127/overview/description Note that the files here alone are less useful unless appropriate codes are employed. <strong>File description:</strong> pred_model_AutoGluon.tar.xz: AutoGluon model parameters for prediction. valid_model_AutoGluon.tar.xz: AutoGluon model parameters for validation. ckpts_original.tar.xz: fine-tuned MolCLR model parameters. qc_out.tar.xz: molecular electronic structure files (.wfn). sdf_optimized.tar.xz: molecular structure files (.sdf). atomwfn.tar.xz: atomic electronic structure files (.wfn).