The pre-trained GICnet models from "Four-dimensional-spacetime atomistic artificial intelligence models"
View DatasetZhang, Lina;Hou, Yi-Fan;Chen, Yuxinxin;Ullah, Arif;Ge, Fuchun;Dral, Pavlo O.
Description
The pre-trained GICnet models from:Fuchun Ge, Lina Zhang, Arif Ullah, Pavlo O. Dral*. Four-dimensional spacetime atomistic artificial intelligence models. J. Phys. Chem. Lett. 2023. 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.
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Publication Details
Subfield
Artificial Intelligence
Field
Computer Science
Domain
Physical Sciences
Confidence Score
78%
Source
Open Alex
Keywords
Computational chemistry