Molecular Docking via Weighted Subgraph Isomorphism on Quantum Annealers

no code implementations • 19 Apr 2024 • Emanuele Triuzzi, Riccardo Mengoni, Domenico Bonanni, Daniele Ottaviani, Andrea Beccari, Gianluca Palermo

Molecular docking is an essential step in the drug discovery process involving the detection of three-dimensional poses of a ligand inside the active site of the protein.

Drug Discovery Molecular Docking

Machine-learning based noise characterization and correction on neutral atoms NISQ devices

no code implementations • 27 Jun 2023 • Ettore Canonici, Stefano Martina, Riccardo Mengoni, Daniele Ottaviani, Filippo Caruso

Here, two approaches are proposed to characterize and correct noise parameters on neutral atoms NISQ devices.

Reinforcement Learning (RL)