Due to the prohibitive computational cost of ISA-pol calculations on dipeptides, we only assess the correlation of the Hirshfeld multipole moments between E3NN model and the QM results. As shown in the Figure , the R 2 for charge, atomic dipole moment and quadrupole moments all exceeded 0.999. The MAEs for charge and atomic quadrupole moment at the 10 -3 e level and 10 -3 e • Å2 , respectively, and the atomic dipole moment at the 10 -4 e • Å level. Such good agreement indicates that the asymptotic parameters are highly localized in closed-shell organic molecules, thus can be determined using the local environment that is within no more than four to five bonds. Therefore, the long-range model can be trained using tiny fragments, then safely transferred to larger biomolecules such as proteins. This results is encouraging, as it shows that it is possible to drastically reduce the seemingly vast chemical space of organic molecules by fragmentation, as one would expect by intuition.