A 9-qubit parameterized quantum circuit predicts protein-ligand binding free energies with 2.37 kcal/mol RMSD and 0.65 Pearson r on the PDBbind Core set, while tolerating shot noise and light gate noise.
Shen et al., Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions
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Quantum Machine Learning for Predicting Binding Free Energies in Structure-Based Virtual Screening
A 9-qubit parameterized quantum circuit predicts protein-ligand binding free energies with 2.37 kcal/mol RMSD and 0.65 Pearson r on the PDBbind Core set, while tolerating shot noise and light gate noise.