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ENTITY Boltzmann-expected design

Boltzmann-expected design

PulseAugur coverage of Boltzmann-expected design — every cluster mentioning Boltzmann-expected design across labs, papers, and developer communities, ranked by signal.

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    New DECAF framework optimizes molecular design using ensemble statistics

    Researchers have introduced DECAF (Decoupled Annealing Flows), a novel framework for molecular design that optimizes molecular graphs based on ensemble statistics rather than single-structure properties. This approach, …