Author

Andrew Smith Smith

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Open access 2026

Exploring Transition Metal Complexes with Large Language Models

Here we use a large language model for the exploration of chemical space of transition metal complexes (TMCs), fine-tuning the open-source Llama-3.2-1B model with a variation of the SMILES string...

Yun-Sheng Liu, Jacob W. Toney, Joe Cavanagh et al. · Chemical Science · 4 citations