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Lei Bai

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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
Preprint Sep 2026

Generative crystallographic phasing through invariant relationships

Crystal structure determination requires the phases of scattered waves -- yet diffraction measures only their intensities. Direct methods exploit phase invariants but become less reliable as diffraction information diminishes. Learned phase prediction has lowered the resolution barrier, yet remains primarily confined t...

Qi Li, Rui Jiao, Li-Ming Wu et al. · 0 citations
#artificial intelligence Open access Mar 2026

SCALE: Scalable Conditional Atlas-Level Endpoint Transport for virtual cell perturbation prediction

A conditional transport model that represents cells as unordered sets and predicts treated populations without cell-level matching that enables perturbation-specific prediction from unpaired populations and supports experimental prioritization is presented.

Shui-Zhou Chen, Lang Yu, Xu Lin et al. · 0 citations
Jun 2026

A Self-Evolving Agentic System for Automated Generation and Execution of Biological Protocols

Results show that the evaluation framework captures execution-relevant requirements for autonomous wet-lab automation, and that ProtoPilot can meet them by converting protocol and code generation into validated execution and feedback-guided revision.

Yankai Jiang, Wei Tang, Haoran Sun et al. · 0 citations

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