Energy-based descriptors 75% of the evaluated CURATED COFs have their band gaps in the range of visible light (1.6 eV < E bg < 3.2 eV). Structural analysis shows that most structures containing porphyrin, pyrene, triphenylamine, and 2,4,6-triphenyl-1,3,5-triazine (TPTA, with triazine linkage) have their PBE0-adjusted band gaps within the visible range (Figure ). This observation agrees with the photophysical nature of these organic groups known for having visible-light absorbing properties. The presence of these groups has been reported for applications involving visible light absorption in COFs. in this plot are desired to achieve the minimum requirement of 10% solar-to-hydrogen (STH) efficiency for profitable industrialization. Furthermore, the filtered structures can also be investigated as photocatalysts for individual HER and OER. We highlight that all calculations are kept at the GGA level, with the PBE functional, and posteriorly adjusted empirically to PBE0 values. This choice is justified by our screening approach, considering the large number of COFs. However, DFT, even with hybrid functionals, can present shortcomings regarding the prediction of fundamental band gaps and IP/EA levels.