Considering the development of a Pytorch-based polarization energy calculator that incorporates anisotropic atomic dipole polarizability presents a challenging, we intend to tackle this challenging task in the next phase of our research. Meanwhile, the deviation of data points in Figure (d) is much smaller and the R 2 for dispersion energy is as high as 0.99. Given that both the polarization and dispersion energies vary within a relatively narrower range and the MAE is only 0.02 kcal/mol for both components, the main source of error is still the electrostatic energy. We also compare the correlation of total intermolecular interactions in Figrue 8 (e). Again, excellent agreement is observed for total inter-molecular interactions, with an R 2 value of 0.999 and a MAE of 0.081 kcal/mol.