From the generated zeolite grids, various chemical properties can be directly computed as detailed in Methods section . The void fraction, methane Henry coefficient and isosteric methane heat of adsorption were calculated for the 10,000 generated samples, and their distributions were compared to the structures comprising the training dataset (Figures S6). Two sets of data exhibited similar distributions for all three properties, implying that ZeoDiff had learned the distribution of the realistic zeolites contained in the IZA and PCOD database.