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cs.AI2026
Inference-Time Projection for Physically Valid Biomolecular Diffusion Models
Qurat-ul-ain, Yee Whye Teh, Charlotte M. Deane +1
AlphaFold 3-style cofolding models predict biomolecular complexes with high structural accuracy, yet a large fraction of their outputs are physically invalid: chains overlap at int…
q-bio.BM2026
Spectral Diffusion for Protein Dynamics
Hew Phipps, Matteo Cagiada, Santiago D. Villalba +1
Generative models present a promising alternative to expensive molecular dynamics for computationally querying protein dynamics, yet many existing approaches treat ensembles as uno…