MolE-RAG is a training-free RAG framework that augments LLMs with literature, molecular context, and structural analogs to improve performance on nine molecular property prediction tasks.
Molecular String Representation Preferences in Pretrained LLM s: A Comparative Study in Zero- & Few-Shot Molecular Property Prediction
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MolE-RAG: Molecular Structure-Enhanced Retrieval-Augmented Generation for Chemistry
MolE-RAG is a training-free RAG framework that augments LLMs with literature, molecular context, and structural analogs to improve performance on nine molecular property prediction tasks.