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October 9, 2026
physics.chem-ph
cs.LG
Electron-Density-Informed Molecular Property Prediction Using Surrogate Functionals
Manuel V. Klockow
,
Simon Wagner
,
Roman Remme
,
Dominic Plein
,
Fred A. Hamprecht
Original Abstract
Read on arXiv
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Categories
physics.chem-ph, cs.LG
Electron-Density-Informed Molecular Property Prediction Using Surrogate Functionals - AI | One9Founders