TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Pelaez, Raul P., Simeon, Guillem, Galvelis, Raimondas, Mirarchi, Antonio, Eastman, Peter, Doerr, Stefan, Thölke, Philipp, Markland, Thomas E., De Fabritiis, Gianni
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Biological Physics Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2402.17660