PI1M_Tg_MAC Developed Dataset and Pseudocode for Closed-Loop Generative Design of Radiation-Resistant Polymers

This record contains the supporting dataset and pseudocode for the manuscript"A Closed-Loop Deep Generative Model for the Inverse Design of Radiation-Resistant Polymers." Contents:- PI1M_Tg_MAC.csv — Augmented PI1M dataset with standardized SMILES, 17 RDKit descriptors, and glass transition temperature (Tg) and mass attenuation coefficient (MAC) values (experimental where available; surrogate-predicted otherwise).- PolymerDesign_Pseudocode.pdf — High-level pseudocode describing the closed-loop workflow used in this study, including dataset preparation, surrogate modeling, candidate generation, scoring, and selection. The pseudocode is non-executable, provided for transparency and reproducibility. The dataset is sufficient for replicating the surrogate modeling pipeline described in the paper.