As illustrated in Figure , each term of long-range interaction can be computed utilizing differentiable multipolar polarizable force field calculator and asymptotic parameters, which serve as a direct counterpart to the corresponding term in DFT-SAPT. All the asymptotic parameters, including atomic multipole moments, polarizability, and dispersion coefficients can be computed through quantum mechanical (QM) calculations with small protein fragments and further predicted utilizing E3NN model.As most NN models are based on the Pytorch, we develop the Torch-based DMFF as the force field calculator, which works in conjunction with the E3NN-based asymptotic parameters to automatically calculated longrange energy and forces. In the subsequent section, we will provide a detailed explanation of each long-range term along with the E3NN architecture.