We then added general (and easily accessible) data on the structure such as the framework mass 𝑀 𝑓 and density 𝜌 𝑓 . These descriptors are useful as a primary description of the structures, but are rarely what makes a difference in the ML model. Other standard geometrical descriptors such as the surface area (SA) and the void fraction or porosity (VF) were also considered. Finally, information about the dimensionality of the nanoporous channels of the materials were also found to be beneficial for the accuracy of the model the diffusion process and are therefore were also included in the final list of descriptors.