Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations

Summary

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Authors: Oliver T. Unke, Martin Stöhr, Stefan Ganscha, Thomas Unterthiner, Hartmut Maennel, Sergii Kashubin, Daniel Ahlin, Michael Gastegger, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Klaus-Robert Müller

Journal title: arxiv

Journal publisher: arxiv.org

Published year: 2022

DOI identifier: 10.48550/arxiv.2205.08306