3 papers
cs.AI2025
DrugMCTS: a drug repurposing framework combining multi-agent, RAG and Monte Carlo Tree Search
Zerui Yang, Yuwei Wan, Siyu Yan +4
Recent advances in large language models have demonstrated considerable potential in scientific domains such as drug repositioning. However, their effectiveness remains constrained…
cs.CL2025
DARWIN 1.5: Large Language Models as Materials Science Adapted Learners
Tong Xie, Yuwei Wan, Yixuan Liu +8
Materials discovery and design aim to find compositions and structures with desirable properties over highly complex and diverse physical spaces. Traditional solutions, such as hig…
cs.CL2025
Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model
Yanpeng Ye, Jie Ren, Shaozhou Wang +6
Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges to the efficient discovery and integration of new materials…