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Is there a convenient way to train models using the ASE extended XYZ file format? #29

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FLongWang opened this issue Dec 25, 2024 · 1 comment
Open

Is there a convenient way to train models using the ASE extended XYZ file format? #29

FLongWang opened this issue Dec 25, 2024 · 1 comment

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@FLongWang
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@ajhoffman1229
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As it stands, no, there is no way to train any of our models with the xyz format. We have some conversion scripts within the research group here for specific applications, but I am not sure if they are robust enough to be published in this repository right now. Are you looking for code like that to translate xyz files to the NFF dataset format?

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@ajhoffman1229 @FLongWang