deepmodeling / deepmodeling/deepmd-kit

Deepmd training suggestion

Open
#6,021 0 comments 0 reactions 0 assignees View on GitHub
wontfix
Dominant language
Python
Stars
2k
Forks
649
Avg merge
6d 18h
Merged PRs (30d)
15

Description

### Summary

Deepmd training suggestion needed. I have uploaded plots and input.json

### DeePMD-kit Version

3.1.1

### Backend and its version

TensorFlow 2.19.1

### Python Version, CUDA Version, GCC Version, LAMMPS Version, etc

_No response_

### Details

After running deepmd with the input.json I get overall force plot training and validation but for energy different configuration consist different plots as different configuation has different energy. i am uploading plots, lcurve, and input.json.

suggest any change

[input2.json](https://github.com/user-attachments/files/32160523/input2.json)

Image
Image
Image
Image
Image
Image
Image
Image
Image
Image

[lcurve.txt](https://github.com/user-attachments/files/32160537/lcurve.txt)

Contributor guide

Open the contributing guide

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.