In Figure , a sample subset collection of cleaned-up zeolite structures generated by ZeoDiff is illustrated. Out of 183 perfect zeolite structures obtained after post-processing, 102 structures were identified as geometrically unique. Among these unique structures, 9 structures were present in the training dataset, another 9 structures were present in the test dataset, while the remaining structures were entirely new. The generated zeolite structures, along with the corresponding zeolites from IZA and PCOD databases, are shown in Figure . Furthermore, it is noteworthy that the average number of atoms comprising the unit cell of generated structures was 159.1. This value represents a significant increase compared to precedent works that utilized diffusion models to generate other crystalline materials where the number of atoms comprising the unit cell is generally limited (e.g. fewer than 52 for CrysTens and ~ 20 for CDVAE ), validating ZeoDiff's ability to handle more intricate and complex structures.