Quantum-classical generative models for drug design

Abstract In molecular research, the modelling and analysis of molecules through simulation is an important part that has a direct influence on medical development, material science and drug discovery. The processing power required to design protein chains with hundreds of peptides is huge. Classical computing techniques, including state-of-the-art machine learning models being deployed on classical computing machines, have proven to be inefficient in this task, though they have been successful in a limited way. Moreover, current practical implementations, as opposed to purely theoretical modelling, are often infeasible in terms of both time and cost. One of the major areas where quantum machine learning is…