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An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH4 and H2 adsorption
Computation-ready metal–organic framework (MOF) databases (DBs) have tremendous value since they provide directly useable crystal structures for molecular simulations. The currently available two DBs, the CoRE DB (computation-ready, experimental MOF database) and CSDSS DB (Cambridge Structural Datab
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