deepmodeling / deepmodeling/deepmd-kit

[Feature Request] Allow one model with multiple fitting networks

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#3,859 6 comments 0 reactions 1 assignee Claimed by @iProzd View on GitHub
enhancement
Dominant language
Python
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Description

### Summary

Allow one model with multiple fitting networks.

### Detailed Description

In some energy models, there are multiple parameters dependent on the local environment. For example, one might want to predict the 1) atomic charges for the long-range electrostatic energy and 2) the short-range atomic energies in one energy model (i.e., 3rd-HDNNP proposed by J. Behler: 10.1103/PhysRevB.83.153101). I would expect the architecture to be somewhat similar to the multi-task training but with only one loss function.

### Further Information, Files, and Links

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