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Since 2020
Citations
4
4
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1
1
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Malte Franke
Master Student,
RWTH Aachen
Verified email at rwth-aachen.de
Machine Learning for Molecular Science
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Benchmarking machine-readable vectors of chemical reactions on computed activation barriers
P van Gerwen, KR Briling, YC Alonso, M Franke, C Corminboeuf
Digital Discovery 3 (5), 932-943
, 2024
4
2024
Holistic chemical evaluation reveals pitfalls in reaction prediction models
V Sabanza Gil, AM Bran, M Franke, R Schlama, JS Luterbacher, ...
arXiv e-prints, arXiv: 2312.09004
, 2023
2023
Deterministic global optimization for sample-efficient molecular design with generative machine learning
JG Rittig, M Franke, A Mitsos
AI for Accelerated Materials Design-NeurIPS 2024
, 0
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