Leveraging generative hallucination and biophysics-informed modeling for unified biomolecular sequence-structure co-design
MCTH (Monte Carlo Tree Hallucination), an inference-only framework that casts all-atom sequence-structure co-design as uncertainty-aware planning over hallucinated states from pretrained folding and inverse-folding models, with optional biophysical control within the same decision loop is introduced.
Xuefeng Liu, Mingxuan Cao, Xiao Luo et al.
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