14 citations · 32 across the 24 of their papers we have counts for
6 papers · 1 filter
Learning the Interaction Prior for Protein-Protein Interaction Prediction: A Model-Agnostic Approach
Ziqi Gao, Chenyi Zi, Zijing Liu +3
Protein-protein interactions (PPIs) are fundamental to cellular function and disease mechanisms. Current learning-based PPI predictors focus on learning powerful protein representa…
ReactBench: A Benchmark for Topological Reasoning in MLLMs on Chemical Reaction Diagrams
Qiang Xu, Shengyuan Bai, Yu Wang +6
Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological str…
Mozi: Governed Autonomy for Drug Discovery LLM Agents
He Cao, Siyu Liu, Fan Zhang +7
Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlene…
Phi-Former: A Pairwise Hierarchical Approach for Compound-Protein Interactions Prediction
Zhe Wang, Zijing Liu, Chencheng Xu +1
Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions…
ChemLabs on ChemO: A Multi-Agent System for Multimodal Reasoning on IChO 2025
Qiang Xu, Shengyuan Bai, Leqing Chen +2
Olympiad-level benchmarks in mathematics and physics are crucial testbeds for advanced AI reasoning, but chemistry, with its unique multimodal symbolic language, has remained an op…
Dynamic Guided and Domain Applicable Safeguards for Enhanced Security in Large Language Models
Weidi Luo, He Cao, Zijing Liu +5
With the extensive deployment of Large Language Models (LLMs), ensuring their safety has become increasingly critical. However, existing defense methods often struggle with two key…