[Feature Request] Support property label format in dpdata

deepmodeling / dpdata

A Python package for manipulating atomistic data of software in computational science

https://docs.deepmodeling.com/projects/dpdata/

GNU Lesser General Public License v3.0

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[Feature Request] Support property label format in dpdata #726

Open Chengqian-Zhang opened 5 days ago

Chengqian-Zhang commented 5 days ago

Summary

Until now, property fitting has been merged to deepmd-kit. But the training dataset is not supported to be converted from dpdata. Not like other labels, property does not have a general data source file.

Detailed Description

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Further Information, Files, and Links

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Chengqian-Zhang commented 5 days ago

I don't have permission to assign myself

wanghan-iapcm commented 5 days ago

please check if the data registration mechanism (https://github.com/deepmodeling/dpdata/pull/505) solves the issue, if not what feature is needed to be implemented.