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Updated: May 5, 2026

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
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TorchMD-Net 2.0:用于分子模拟的快速神经网络潜力

Raul P Pelaez1, Guillem Simeon1, Raimondas Galvelis1,2

  • 1Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C Dr. Aiguader 88, 08003 Barcelona, Spain.

ArXiv
|March 11, 2024
PubMed
概括

现在TorchMD-Net软件使用神经网络潜力提供了更快的分子模拟. 这次更新显著提高了Tensor-Net模型的计算效率,提高了研究的速度和准确性.

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