Metal-organic frameworks (MOFs) and metal-organic cages (MOCs) have garnered significant attention as promising photocatalysts due to their tunable chemical structures and integrated multifunctionality. To increase the photocatalytic efficiency, strategies like ligand functionalization, introducing additional catalytic sites, and doping or encapsulating photosensitizers have been explored for both MOFs and MOCs. This concept review focuses on recent advancements in utilizing MOFs and MOCs for photocatalytic hydrogen production, highlighting their unique characteristics and introducing their respective mechanisms in this field. Moreover, it outlines the current challenges and prospects faced by MOFs and MOCs, offering an outlook on their future in this domain.