Notwithstanding these challenges, our work demonstrates that the R 2 values for the E3NN-predicted atomic isotropic polarizability and dispersion coefficients surpass 0.995. The mean absolute error (MAE) for these parameters is below 0.2% of the respective distribu-tion ranges. Detailed in the Table are the MAE and the distribution ranges of atomic polarizability and dispersion coefficients on different elements. Similar to the electrostatic case, we also observe that S (sulfur) atoms exhibit the broadest range on both polarizability and dispersion coefficients, resulting in a relatively higher MAE. The worst scenario happens for the C 10 of S, which shows a MAE of 9.1 E h • Å10 . This error is still merely 1% of the distribution range, showing that E3NN can capture the geometry fluctuations of atomic parameters in remarkable accuracy.