activity
20242026
most citedReaction-conditioned De Novo Enzyme Design with GENzyme

6 citations · 15 across the 8 of their papers we have counts for

collaborators

9 papers

cs.AI2026

LabAgent: Customize Any Research Hubs for Scientific Discoveries Using AI Agents

Lei Liu, Yikun Zhang, Jialin Chen +7

Scientific research is a continuous process that emphasizes inheritance. Methods developed by predecessors are often expanded upon by new researchers to explore more novel and in-d…

cs.CV2026

Predicting Immune Biomarkers with MultiModal Mixture-of-Expert Pathology Foundation Models Empowers Precision Oncology

Tianyu Liu, Ziqing Wang, Zhaokang Liang +12

Predicting immune biomarkers associated with the tumor immune microenvironment (TIME) is critical for advancing precision oncology, yet existing approaches are largely limited to s…

cs.AI2026

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

Tianyu Liu, Allen Xin Wang, Antonia Panescu +30

AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood. Existing benchma…

cs.AI2025

Accelerating Scientific Discovery with Autonomous Goal-evolving Agents

Yuanqi Du, Botao Yu, Tianyu Liu +25

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by s…

cs.CV2025

Scalable Generation of Spatial Transcriptomics from Histology Images via Whole-Slide Flow Matching

Tinglin Huang, Tianyu Liu, Mehrtash Babadi +2

Spatial transcriptomics (ST) has emerged as a powerful technology for bridging histology imaging with gene expression profiling. However, its application has been limited by low th…

q-bio.BM2024★ 6 cited

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua, Jiarui Lu, Yong Liu +7

The introduction of models like RFDiffusionAA, AlphaFold3, AlphaProteo, and Chai1 has revolutionized protein structure modeling and interaction prediction, primarily from a binding…

q-bio.BM2024★ 4 cited

SurfPro: Functional Protein Design Based on Continuous Surface

Zhenqiao Song, Tinglin Huang, Lei Li +1

How can we design proteins with desired functions? We are motivated by a chemical intuition that both geometric structure and biochemical properties are critical to a protein's fun…

q-bio.BM2024★ 3 cited

Protein-Nucleic Acid Complex Modeling with Frame Averaging Transformer

Tinglin Huang, Zhenqiao Song, Rex Ying +1

Nucleic acid-based drugs like aptamers have recently demonstrated great therapeutic potential. However, experimental platforms for aptamer screening are costly, and the scarcity of…

cs.LG2024★ 2 cited

Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates

Zhenqiao Song, Yunlong Zhao, Wenxian Shi +3

Enzymes are genetically encoded biocatalysts capable of accelerating chemical reactions. How can we automatically design functional enzymes? In this paper, we propose EnzyGen, an a…