"molecular structure understanding" Papers

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Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations

Li Hao, He CAO, Bin Feng et al.

NEURIPS 2025arXiv:2505.21318
19
citations

ChemPile: A 250 GB Diverse and Curated Dataset for Chemical Foundation Models

Adrian Mirza, Nawaf Alampara, Martiño Ríos-García et al.

NEURIPS 2025
5
citations