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List of works by Peter Bjørn Jørgensen

Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks

scientific article published on 22 December 2021

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

scientific article published on 29 January 2019

Graph neural network interatomic potential ensembles with calibrated aleatoric and epistemic uncertainty on energy and forces

scientific article published in January 2023

Machine learning-based screening of complex molecules for polymer solar cells

scientific article published on 01 June 2018

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