Search Results - Alessio Fallani

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  1. 1

    Modeling noncovalent interatomic interactions on a photonic quantum computer by Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko

    Published in Physical Review Research (2023-10-01)
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  2. 2

    Inverse mapping of quantum properties to structures for chemical space of small organic molecules by Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko

    Published in Nature Communications (2024-07-01)
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  3. 3

    Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling by Alessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, Jörg Kurt Wegner, Alexandre Tkatchenko, Kostiantyn Chernichenko

    Published in Journal of Cheminformatics (2025-02-01)
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  4. 4

    Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules by Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko

    Published in Scientific Data (2024-07-01)
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