Systematic Data-Driven Penalty Calibration for Constrained Quantum Optimization with Application to Molecular Docking
Soumyajit Mandal, Pritam Mukherjee
This paper introduces MMP, a framework for quantum optimization of molecular docking by systematically calibrating penalties using data-driven methods, achieving high solution validity and quality improvements.
bioRxiv · Jan 30, 2026 · PreprintBioinformatics