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I want to use the output model of DeePMD-kit to predict something. For example, input is only coordination and output will be energy. Thank for your reading . |
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Replies: 2 comments
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DeePMD-kit uses GraphDef as the protocol which contains repeated nodes. All nodes can be assigned as the output. The placeholders in the path of evaluating outputs are required to input. |
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Thanks for your quick reply. I'll try this suggestion. |
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DeePMD-kit uses GraphDef as the protocol which contains repeated nodes. All nodes can be assigned as the output. The placeholders in the path of evaluating outputs are required to input.