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Liang Hong

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#artificial intelligence Preprint Oct 2026

Elucidating the Space of Enzymatic Reaction: A Unified Benchmark and Pretrained Model

Existing reaction models primarily learn molecular transformations, whereas enzy- matic reactions depend jointly on molecular structure and catalytic function. We formulate this problem as learning an enzymatic reaction space linking reactants, products, and Enzyme Commission (EC) annotations. To characterize this spac...

Yu-Tong Hu, Tian-Ming Huang, Yan-Bo Zhao et al. · 0 citations
Open access Aug 2026

MAXWELL: Calibrating the probabilistic outputs of protein language models to the mutation-induced stability change landscape

MAXWELL (Matrix-wise Landscape Learning), a novel post-training method that calibrates the probabilistic outputs learned by protein language models during pretraining to generate mutational landscapes that quantify the effects of individual amino acid substitutions on protein stability, is introduced.

Ming-Chen Li, Xiaoran Cheng, Fan Jiang et al. · 0 citations

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