The pre-trained GICnet models from "Four-dimensional-spacetime atomistic artificial intelligence models"
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https://figshare.com/articles/dataset/The_pre-trained_GICnet_models_from_Four-dimensional-spacetime_atomistic_artificial_intelligence_models_/22723414
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资源简介：
The pre-trained GICnet models from:Fuchun Ge, Lina Zhang, Arif Ullah, <b>Pavlo O. Dral*</b>. Four-dimensional spacetime atomistic artificial intelligence models. <i>J. Phys. Chem. Lett.</i> <b>2023</b>. DOI: 10.1021/acs.jpclett.3c01592. See also preprint on ChemRxiv.These models can be used to propagate molecular dynamics trajectories with the 4D-spacetime GICnet models. See https://github.com/dralgroup/mlatom/tree/gicnet for the instructions.
提供机构：
figshare
创建时间：
2023-08-18
