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Molecular Geometry Understanding Has Unintendedly Emerged in Frontier Large Language Models

Semakin, Gregorii A. et al.
arXiv (All) · Papers
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chemical-physics
Large language models (LLMs) have already shown strong capabilities in solving complex chemical problems expressed in natural language. Yet, many tasks performed by chemists require understanding of 3D structures of chemical compounds and reasoning about them -- abilities, which, to the best of our
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