Despite the importance of guest transport properties, most high-throughput computational studies based on atomistic simulations of nanoporous materials so far have focused heavily on the thermodynamics of adsorption, studying adsorption parameters such as adsorption enthalpy, adsorption entropy, Henry constant, uptake isotherms at various temperatures, loading at specific values of pressure, working capacity, and other such thermodynamic quantities. Here, we want to explore this frequently overlooked aspect through a high-throughput screening approach, and we therefore focus on a single quantity: the guest diffusion coefficient in the low loading regime (or low pressure limit). While transport phenomena in nanoporous media are very complex, we want to start addressing the issue with a manageable quantity, and therefore have chosen the low-loading diffusion coefficient as a first target.