12 papers
Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning
Chen Tang, Yizhou Wang, Jianyu Wu +26
Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and pe…
A Self-Evolving Agentic System for Automated Generation and Execution of Biological Protocols
Yankai Jiang, Weiting Tang, Haoran Sun +11
Autonomous wet-lab experimentation requires more than plausible protocol text: biological intent, quantitative procedures, device constraints and experimental feedback must remain…
MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization
Lisheng Zhang, Lilong Wang, Xiangyu Sun +14
Computational drug discovery, particularly the complex workflows of drug molecule screening and optimization, requires orchestrating dozens of specialized tools in multi-step workf…
GGBound: A Genome-Grounded Agent for Microbial Life-Boundary Prediction
Hanbo Huang, Xuan Gong, Jing Wang +4
Characterizing the physiological life boundaries of microbial strains, including viable temperature, pH, salinity, substrate utilization, and morphology, is central to biotechnolog…
ViraHinter: a dual-modal artificial intelligence framework for predicting virus-host interactions
Weiqiang Bai, Fei Wang, Jialin Wang +10
Protein-protein interactions (PPIs) between a virus and its host govern infection, replication, and pathogenesis. While high-throughput mapping has identified thousands of virus-ho…
SCALE:Scalable Conditional Atlas-Level Endpoint transport for virtual cell perturbation prediction
Shuizhou Chen, Lang Yu, Kedu Jin +9
Virtual cell models aim to enable in silico experimentation by predicting how cells respond to genetic, chemical, or cytokine perturbations from single-cell measurements. In practi…