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Raul P. Pelaez

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics

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Sep 26, 2024
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On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials

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Mar 22, 2024
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TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

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Feb 27, 2024
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