Atom-Level Quantum Pretraining Enhances the Spectral Perception of Molecular Graphs in Graphormer

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Authors: Alessio Fallani, José Arjona-Medina, Konstantin Chernichenko, Ramil Nugmanov, Jörg Kurt Wegner, Alexandre Tkatchenko

Journal title: Lecture Notes in Computer Science, AI in Drug Discovery

Journal publisher: Springer Nature Switzerland

Published year: 2024

Published pages: 71-81

DOI identifier: 10.1007/978-3-031-72381-0_7