In this section, we present the performance of the ML model that learns the joint effects of all the newly introduced descriptors to detect and evaluate the drop between the easily accessible low-pressure selectivity and the more computationally demanding ambient-pressure selectivity. A GCMC simulation of a 20:80 xenon/krypton gas mixture takes in average 2 400 s per structure on the CoRE MOF 2019 database, while our grid-based adsorption calculation only takes about 5 s per structure (on a single Intel Xeon Platinum 8168 core at 2.7 GHz).