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I'm using fparam as different temperatures. So do I need to shuffle the raw data set first or will deepmd-kit do it during training? I know that I need to make sure the last set (test set) contains all different temperatures, but I'm not sure if I need to shuffle the rest sets. Thank you for answering my questions. |
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Answered by
amcadmus
Apr 1, 2021
Replies: 1 comment 1 reply
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DeePMD-kit shuffles the order of frames in the dataset automatically. |
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1 reply
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Thank you |
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Answer selected by
njzjz
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DeePMD-kit shuffles the order of frames in the dataset automatically.