It is the primary objective of the present article to bridge this gap by developing a robust scheme for model reduction of polymer chains. Within this model reduction scheme, we make the necessary assumption that the conformation of the chain is determined by the torsional potentials of the neighboring monomers, rather than the inter-chain interactions, which is clearly valid for amorphous polymers, and we generate a model Hamiltonian which can be studied in principle with any choice of quantum dynamics methods. The other objective of this article is the study of transport characteristics for a sample of polymers in the limit of hopping transport, a computationally efficient approach that can rationalize quantitatively the difference between similar materials, and is therefore suitable for virtual screening purposes. We also make a quantitative connection between charge mobility and localization length for these polymers; the localization length has been known in the community as a good measure of charge transport efficiency, but a quantitative relation with charge mobility has not been worked out till now.