Latest News

  • Lambda-ABF with COLVARS

    Published On: juillet 27, 2024

    New article published in JCTC: "Lambda-ABF: Simplified, Accurate and Cost-effective Alchemical Free Energy Computations" by L. Lagardère, L. Maurin, O. Adjoua, K. El Hage, P. [...]

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  • FeNNol

    Published On: juillet 27, 2024

    New article published in the Journal of Chemical Physics: "FeNNol: an Efficient and Flexible Library for Building Force-field-enhanced Neural Network Potentials" by T. Plé, O. [...]

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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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