Benchmarking classical, graph, and quantum machine learning models for molecular property prediction on BACE, BBBP, and ClinTox.
benchmark cheminformatics reproducible-research scikit-learn pytorch quantum-computing drug-discovery qsar quantum-machine-learning graph-neural-networks pennylane qsvm molecular-property-prediction vqc hybrid-quantum-classical bbbp bace clintox
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Updated
May 11, 2026 - Python