deepmodeling / deepmodeling/deepmd-kit
[Feature Request] Allow one model with multiple fitting networks
Open
enhancement
- Dominant language
- Python
- Stars
- 2k
- Forks
- 649
- Avg merge
- 6d 18h
- Merged PRs (30d)
- 15
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
_No response_
Contributor guide
Assessment
This issue has not been assessed yet.