In this paper, we put forward a workflow to obtain atomistic models form SCP chemical drawings. Furthermore, we suggested a simplified alternative equilibration method (i.e., "soup" method) which can predict accurately intramolecular conformations and electronic properties (density of states, localization length) of a range of polymers. Our QC/MD scheme as presented in this paper tremendously reduces calculation time from typically a few months per polymer (through manual and conventional methods) to a few days per polymer. More importantly, it enables an accurate estimation of SCP electronic structure properties with a constant calculation setup (e.g., simulation box dimension, simulation time, temperature, equilibration scheme), regardless of the polymer structure. Therefore, it will tremendously facilitate future endeavours in exploring a large space of SCPs with directly comparable methods. Last, we show that the availability of homogenous set of simulations is helpful in extracting interesting structure-property relationships, in this case: the greater effect of the surrounding polymer chains on the DOS of DPP polymers in comparison to the others.