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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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[Feature Request] Consistent user experience for finetuning and init-model #3747

Closed zjgemi closed 2 months ago

zjgemi commented 3 months ago

Summary

Consistent user experience for finetuning and init-model

Detailed Description

Currently, finetuning uses model structure defined in the pretrained model, ignoring those in input.json. In comparison, training with init-model uses model structure defined in input.json, inconsistency with the init model will cause exception. I suggest a more consistent user experience for the two modes.

Further Information, Files, and Links

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