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Feat: add model format for dpa1

Open iProzd opened this issue 1 year ago • 1 comments

This PR add model format for DPA1 model:

  • [x] Add torch reformat implementation for DPA1 model
  • [x] Add numpy implementation for DPA1 model without attention layer
  • [x] Align the torch and numpy implementations

TODO:

  • [ ] Add numpy implementation for DPA1 model with attention layer
  • [ ] Align the TF and numpy implementations
  • [ ] Align the smoothness implementations
  • [ ] Make filter_layers._networks in torch be accessable from outside

iProzd avatar Feb 01 '24 10:02 iProzd

Codecov Report

Attention: 529 lines in your changes are missing coverage. Please review.

Comparison is base (afb440a) 74.39% compared to head (a96cab0) 20.72%. Report is 2 commits behind head on devel.

Files Patch % Lines
deepmd/pt/model/descriptor/se_atten.py 0.00% 200 Missing :warning:
deepmd/model_format/dpa1.py 0.00% 117 Missing :warning:
deepmd/model_format/network.py 0.00% 109 Missing :warning:
deepmd/pt/model/network/mlp.py 0.00% 64 Missing :warning:
deepmd/pt/model/descriptor/dpa1.py 0.00% 36 Missing :warning:
deepmd/model_format/__init__.py 0.00% 1 Missing :warning:
deepmd/pt/model/descriptor/se_a.py 0.00% 1 Missing :warning:
deepmd/pt/model/task/ener.py 0.00% 1 Missing :warning:
Additional details and impacted files
@@             Coverage Diff             @@
##            devel    #3211       +/-   ##
===========================================
- Coverage   74.39%   20.72%   -53.68%     
===========================================
  Files         345      346        +1     
  Lines       31981    32509      +528     
  Branches     1592     1594        +2     
===========================================
- Hits        23791     6736    -17055     
- Misses       7265    25075    +17810     
+ Partials      925      698      -227     

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codecov[bot] avatar Feb 01 '24 10:02 codecov[bot]

This PR is merged into https://github.com/deepmodeling/deepmd-kit/pull/3696

iProzd avatar Apr 21 '24 09:04 iProzd