5 citations · 10 across the 10 of their papers we have counts for
6 papers · 1 filter
MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization
Zhuo Yang, Yeyun Chen, Jiaqing Xie +7
Molecular editing and optimization are multi-step problems that require iteratively improving properties while keeping molecules chemically valid and structurally similar. We frame…
Probing Scientific General Intelligence of LLMs with Scientist-Aligned Workflows
Wanghan Xu, Yuhao Zhou, Yifan Zhou +104
Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific do…
Chem-R: Learning to Reason as a Chemist
Weida Wang, Benteng Chen, Di Zhang +14
Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories…
MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search
Zonglin Yang, Wanhao Liu, Ben Gao +7
Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical m…
MOOSE-Chem3: Toward Experiment-Guided Hypothesis Ranking via Simulated Experimental Feedback
Wanhao Liu, Zonglin Yang, Jue Wang +7
Hypothesis ranking is vital for automated scientific discovery, especially in cost-intensive, throughput-limited natural science domains. Current methods focus on pre-experiment ra…
ChemMLLM: Chemical Multimodal Large Language Model
Qian Tan, Di Zhang, Dongzhan Zhou +8
Recent years have seen rapid progress in multimodal large language models (MLLMs) in the field of chemistry. However, chemical MLLMs that can handle cross-modal understanding and g…