1 citations · 1 across the 1 of their papers we have counts for
3 papers
Do LLMs Know When They Are Wrong About Molecules? In-Context Property Prediction with Self-Reported Uncertainty
Matthias Busch, Marius Tacke, Tamadur Albaraghtheh +5
Large language models (LLMs) are used in many domains, but molecular property prediction with them is still little explored. In this work we evaluate the capability of 7 frontier L…
Molecular Déjà Vu: Digit-Level Retrieval of Molecular Properties in Frontier Language Models
Matthias Busch, Marius Tacke, Sviatlana V. Lamaka +4
Large language models (LLMs) are increasingly employed to predict molecular properties. However, prediction error alone cannot distinguish prediction from retrieval of published va…
In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts
Matthias Busch, Marius Tacke, Sviatlana V. Lamaka +4
The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However,…