IR-Agent is a multi-agent LLM framework that emulates expert IR spectral analysis procedures to improve molecular structure elucidation accuracy and adaptability.
Transformer-based models for predicting molecular structures from infrared spectra using patch-based self-attention
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IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra
IR-Agent is a multi-agent LLM framework that emulates expert IR spectral analysis procedures to improve molecular structure elucidation accuracy and adaptability.