A product-of-experts fusion inside a pretrained Bayesian flow network lets a single-target molecule generator produce 3D molecules with balanced affinity to two protein targets, without additional training.
Protein modeling and structure-based drug design,
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Fused Bayesian Flow Networks for Dual-Target Molecular Design
A product-of-experts fusion inside a pretrained Bayesian flow network lets a single-target molecule generator produce 3D molecules with balanced affinity to two protein targets, without additional training.