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
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...
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.· bioRxiv· 0 citations
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.· arXiv.org· 0 citations
SciReasoner is introduced, a multimodal scientific foundation model for native structural reasoning across proteins, small molecules and inorganic crystals that connects accurate prediction with interpretable scientific inference.
Chen Tang, Yizhou Wang, Jianyu Wu et al.· 1 citation
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