Search Results for author: Annika Bande

Found 2 papers, 0 papers with code

Transfer Learning for Molecular Property Predictions from Small Data Sets

no code implementations20 Apr 2024 Thorren Kirschbaum, Annika Bande

Machine learning has emerged as a new tool in chemistry to bypass expensive experiments or quantum-chemical calculations, for example, in high-throughput screening applications.

Transfer Learning

Machine learning frontier orbital energies of nanodiamonds

no code implementations30 Sep 2022 Thorren Kirschbaum, Börries von Seggern, Joachim Dzubiella, Annika Bande, Frank Noé

Nanodiamonds have a wide range of applications including catalysis, sensing, tribology and biomedicine.

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