Although initially trained on limited number of species in UiO-66 (Fig. ), the P2 parameter set successfully reproduces adsorption energies for a broad range of compounds in both UiO-66 and MOF-808 (Fig. ). This consistency suggests that QM/MM(P2) calculations align well with the existing UFF parameters, potentially obviating the need for reparameterization for new adsorbates. However, further investigations are warranted to fully ascertain this compatibility.