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  • FENNIX

    Published On: octobre 5, 2023

    New article published in Chemical Science: Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to Atom-in-Molecule properties and long-range effects. T. Plé, L. Lagardère, Jean-Philip [...]

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  • Deep-HP

    Published On: avril 8, 2023

    New article published in Chemical Science: Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including Long-range Effects. T. Jaffrelot Inizan, T. Plé, O. Adjoua, P. [...]

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  • Quantum-HP

    Published On: avril 8, 2023

    New paper published in the Journal of Chemical Theory and Computation: Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning [...]

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  • Q-AMOEBA

    Published On: octobre 22, 2022

    New paper published in the Journal of Physical Chemistry B: Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field. N. [...]

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