As depicted in Figure , for a given target conjugated molecule, the rigid bonded parameters (equilibrium values r eq ij , θ eq ijk , and their respective force constants k r,ij , k θ,ijk ) are derived from the Hessian matrix calculated at the GFN2-xTB level. The proper dihedral parameters (ϕ n ϕ ,eq ijkl and k n ϕ ϕ,ijkl ) missed in GAFF2 are fitted based on 56,000 fragment geometries with torsion profiles. The E3NN model is utilized to train 472,000 optimized molecular geometries with RESP charges for predicting charge parameters. The remaining parameters including the improper dihedral parameters (ω ijkl and ω eq ijkl ) and the dispersion coefficient (σ 6 ij and σ 12 ij ) are adopted directly from the GAFF2 or UFF parameters. With this comprehensive force field, we also provide a pipeline that automates the generation of topology file supported by Gromacs. In the subsequent section, we will provide a detailed explanation of dihedral parameter fitting and RESP charge model building along with the two databases created in this work.