Figure shows examples of metal nodes and organic linkers utilized to generate MOFs. These representative building blocks target diverse chemistry and possible enhancement in photocatalytic properties: Cu(I), Au(III), rod-shaped Ni(II) cluster, and pyrazolate and thiol groups as the linker-metal node bond chemistry. The full list of metal nodes, organic linkers, and topologies used to design CDP-MOF is provided in the Supporting Information (Figures S2 to S12, Tables and). Further details about the structure generation process and diversity analysis are also provided in the Supporting Information section.