QOBRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design
Yue Yu, Francesco Calcagno, Haote Li, Víctor S. Batista
QOBRA is a quantum autoencoder for de novo molecular design that generates valid, novel molecules from limited datasets, demonstrating the potential of quantum computing in molecular synthesis.
bioRxiv · Jul 15, 2025 · PreprintBioinformatics