Hyformer jointly models molecule generation and property prediction via alternating attention and joint pre-training, showing synergistic gains in conditional sampling, OOD prediction, and a drug design case for antimicrobial peptides.
Flam-Shepherd, K
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Synergistic Benefits of Joint Molecule Generation and Property Prediction
Hyformer jointly models molecule generation and property prediction via alternating attention and joint pre-training, showing synergistic gains in conditional sampling, OOD prediction, and a drug design case for antimicrobial peptides.