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cs.CL2026
A Large-Scale Dataset for Molecular Structure-Language Description via a Rule-Regularized Method
Feiyang Cai, Guijuan He, Yi Hu +7
Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs…
cs.CL2025★ 1 cited
MolLangBench: A Comprehensive Benchmark for Language-Prompted Molecular Structure Recognition, Editing, and Generation
Feiyang Cai, Jiahui Bai, Tao Tang +7
Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a c…