For organic linkers, there are 103 vertices and 175 edges that do not contain metal atoms. Apart from building blocks, we used 97 topologies extracted from the CoRE-MOF database by MOFkey , which is summarized in Supplementary Note S1. It is important to note that data augmentation of the organic linkers is required to train with deep generative models, given the insufficient number of organic linkers. Hence, augmentation was implemented by merging the organic linkers, where the connection points of organic linkers were replaced with the other organic linkers. To this end, 30,642 merged organic linkers were generated, and their validity was examined by the RDkit sanitizer . It is to be noted that these data representations can be used to reconstruct the MOF structures using PORMAKE.