GeoCoupling optimizes temporal couplings between modalities in biomolecular generative models and outperforms synchronous baselines on drug design and protein design tasks.
Learning inverse folding from millions of predicted structures
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Diversity-regularized DPO fine-tuning of ProteinMPNN improves structural similarity scores by at least 8% over base model and sequence diversity by up to 20% over standard DPO for peptide inverse folding on OpenFold structures.
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Demystifying Multimodal Biomolecular Co-design With Intrinsic Geodesic Coupling
GeoCoupling optimizes temporal couplings between modalities in biomolecular generative models and outperforms synchronous baselines on drug design and protein design tasks.