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cs.AI2026★ 2 cited
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang, Jeff Guo, Lingkai Kong +4
Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug develop…
cs.AI2025
MSQA: Benchmarking LLMs on Graduate-Level Materials Science Reasoning and Knowledge
Jerry Junyang Cheung, Shiyao Shen, Yuchen Zhuang +3
Despite recent advances in large language models (LLMs) for materials science, there is a lack of benchmarks for evaluating their domain-specific knowledge and complex reasoning ab…