Similar to the multipole moments, the atomic dipole-dipole isotropic polarizability α iso and isotropic atomic dispersion coefficients(C 6 , C 8 and C 10 ) data are also partitioned into a training set and a test set using a random 9:1 split. These scalar properties are also fitted using E3NN, and Figure illustrate the correlation between the prediction and the corresponding ISA-Pol results on the test set. In contrast to permanent atomic multipole moments, which are determined exclusively by the static electron density, the polarizability and dispersion coefficients are derived from the density response at first order in the perturbation operator using the frequency-dependent charge-density susceptibilities. Therefore, the computation and the localization of the response matrix, and the fitting process all pose greater challenges. These response-related parameters are usually not included in the existing databases, but are critical in force field development as they contribute a large portion of long-range nonbonding interactions.