MolPaQ assembles valid molecules from quantum latent patches via a pretrained beta-VAE, conditioner, and valence aggregator, reporting 100% validity, 99.75% novelty, and modest gains in QED and aromaticity over classical baselines.
Their ap- proach maintained limited validity and offered no explicit control over structural motifs or constraints
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MolPaQ: Modular Quantum-Classical Patch Learning for Interpretable Molecular Generation
MolPaQ assembles valid molecules from quantum latent patches via a pretrained beta-VAE, conditioner, and valence aggregator, reporting 100% validity, 99.75% novelty, and modest gains in QED and aromaticity over classical baselines.