Drug Discovery · Blood-Brain Barrier
BBBP Quantum Relabeled
Quantum-relabeled MoleculeNet BBBP benchmark for CNS drug penetration. 85 compounds encoded as a 25-qubit graph-Hamiltonian circuit, shipped as a precomputed pairwise quantum-fidelity kernel for drop-in SVM classification.
Load it
from datasets import load_dataset
ds = load_dataset("SiriusQuantum/bbbp-quantum-relabeled")