3 papers
cs.LG2026
Agentic reinforcement learning empowers next-generation chemical language models for molecular design and synthesis
Hao Li, He Cao, Shenyao Peng +7
Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle betwee…
cs.AI2026
Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations
Hao Li, He Cao, Bin Feng +6
While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding…
cs.CL2025
Rethinking Text-based Protein Understanding: Retrieval or LLM?
Juntong Wu, Zijing Liu, He Cao +6
In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-…