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Few-Step Cofolding with All-Atom Flow Maps

DeCAF distills all-atom biomolecular cofolding diffusion models into few-step flow maps with SE(3)-aligned endpoint losses, improving accuracy and physical validity at strict inference budgets.

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NeurIPS 2026California Institute of Technolo MIT ETH Zurich New York Genesis Therapeutics Molecules & drug discovery

On the Design Space of Discrete Diffusion Online Adaptation for Molecular Optimization

Online discrete diffusion adaptation for molecular optimization finds acquisition, reward shaping, and debiasing complementarily boost reward, with replay and validity control stabilizing exploration to outperform offline and search baselines.

Trevor Chen, Ariel Dai, Jason Yang, Riccardo De Santi and 7 more

Atlanta Poster Session 5, Fri, Dec 11, 10:00 AM–1:00 PM, Hall C1 · Published 2026

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