Finally, let us note that most large-scale studies on adsorption have focused on thermodynamic equilibrium and avoided considerations of kinetics, such as transport properties inside the nanopores. Yet these properties are key parameters in practical applications. Brute-force Molecular Dynamics simulations allow to compute diffusion coefficients, yet it is computationally expensive compared to GCMC simulations, explaining why only a few studies apply this methodology to large databases. Another approach to compute diffusion coefficients uses Transition State Theory and kinetic Monte-Carlo simulations and allows to decrease considerably the computational cost. Recently, our group computed diffusion coefficients of xenon in a large subset of the CoRE MOF structural database and showed that diffusion coefficients can be efficiently predicted using ML models with fast calculations of activation energies and other geometrical descriptors. These studies pave the way to the extension of porous materials databases with kinetic descriptors, and we think this area of research has