Geometry-enhanced molecular representation learning for property prediction | Nature Machine Intelligence
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Barbara GASTEIGER-KLICPERA | Professor (Full) | Dr. phil. | Karl-Franzens-Universität Graz, Graz | KFU Graz | Department of Educational Sciences | Research profile
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Unusual Sherlock Holmes play premieres at the Klicpera Theatre | Radio Prague International
Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions | Journal of Chemical Theory and Computation
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YSD Annual Magazine 2006 by David Geffen School of Drama at Yale | Yale Repertory Theatre - Issuu
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8. Graph Neural Networks — deep learning for molecules & materials
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Beyond potentials: Integrated machine learning models for materials | SpringerLink
