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physics.chem-ph2026
How Well Can Frontier Large Language Models Generate Structures? High Quality Prediction of Molecular Geometries with Help from Fine-Tuning
Joseph M. Cavanagh, Jonathan B. Arnold, Giovanni Battista Alteri +2
The power of Large Language Models (LLMs) has led us to investigate how they might be fine-tuned for learning the "language of molecular geometry". The fine-tuning of the LLMs usin…
cs.AI2026
Agents' Last Exam
Yiyou Sun, Xinyang Han, Weichen Zhang +378
Recent AI systems have achieved strong results on a wide range of benchmarks, yet these gains have not translated into economically meaningful deployment across many professional d…