Source data and optimization results for Pareto-guided inverse design of perovskite passivators

This dataset accompanies the study “Pareto-guided inverse design of perovskite passivators”. The archive contains molecular-property source tables for donor number (DN) and dipole moment (DM), processed descriptor tables used by the predictor workflows, optimization outputs generated during Pareto-guided JT-VAE fine-tuning, source data used by the released computational figure scripts, and the final selected generator checkpoint.