the material at the de-charging (low) pressure; the higher this deliverable capacity, the better the material. One of the interesting features of nanoporous materials is that one can optimize the pore geometry for a given application. The idea is that if one identifies a material with a high deliverable capacity, materials with similar pore geometries should also have an excellent performance. Let us illustrate this idea using all-silica zeolites. For this class of nanoporous materials the chemical composition (Si/O) is the same, hence the determining factor is the pore shape. From molecular simulations we have determined the 13 best performing out of the 180 know-zeolite structures, each having a deliverable capacity larger that 90 (v STP/v). We subsequently identified for each of these top-performing materials the 10 most similar structures in our database of 139,407 predicted zeolites. Figure \[f:CH4\] (a) shows that indeed 80% of these 130 new structures have a deliverable capacity that is similar to the 13 top-performing knowns-zeolites. In Figure \[f:CH4\] (b) we show a similar results for MOFs where we used the 20 top-performing structures from the CoRE-MOF database and identified similar structure in the databases of 41498 predicted MOF structures: 85% of these materials show 