Importantly, all featurizers, e.g. also the SOAP fingerprint, can be used in this setting to compute more meaningful aggregations (in contrast to averages over the full structure). In this process, we do not enforce the use of our moffragmentor library as users can bypass this step by providing their own building blocks. For example, users can provide pymatgen Molecule objects that they obtain by deconstructing MOFs with other tools such as mofid or mBUD. Global descriptors In porous materials, many properties-such as the pore size and shape or overall composition-are not directly correlated to atomic environments or their building blocks.