Publications by authors named "Jonas Lederer"

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Peering inside the black box by learning the relevance of many-body functions in neural network potentials.
Klara Bonneau, Jonas Lederer, Clark Templeton, David Rosenberger, Lorenzo Giambagli

Nat Commun· November 2025

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Analyzing Atomic Interactions in Molecules as Learned by Neural Networks.
Malte Esders, Thomas Schnake, Jonas Lederer, Adil Kabylda, Grégoire Montavon

J Chem Theory Comput· January 2025

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Automatic identification of chemical moieties.
Jonas Lederer, Michael Gastegger, Kristof T Schütt, Michael Kampffmeyer, Klaus-Robert Müller

Phys Chem Chem Phys· October 2023

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SchNetPack 2.0: A neural network toolbox for atomistic machine learning.
Kristof T Schütt, Stefaan S P Hessmann, Niklas W A Gebauer, Jonas Lederer, Michael Gastegger

J Chem Phys· April 2023

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Higher-Order Explanations of Graph Neural Networks via Relevant Walks.
Thomas Schnake, Oliver Eberle, Jonas Lederer, Shinichi Nakajima, Kristof T Schutt

IEEE Trans Pattern Anal Mach Intell· November 2022

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