51 citations · 52 across the 2 of their papers we have counts for
4 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,…
Computational modeling of degradation process of biodegradable magnesium biomaterials
Mojtaba Barzegari, Di Mei, Sviatlana V. Lamaka +1
Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computa…