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Lighten edges for line graph and better muti GPU options added#186

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knc6 wants to merge 12 commits intomainfrom
redw
Open

Lighten edges for line graph and better muti GPU options added#186
knc6 wants to merge 12 commits intomainfrom
redw

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@knc6 knc6 commented Apr 16, 2025

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@knc6 knc6 changed the title Redw Lighten edges for line graph and better muti GPU options added Apr 16, 2025
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codecov-commenter commented Apr 16, 2025

⚠️ Please install the 'codecov app svg image' to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

Attention: Patch coverage is 60.50955% with 62 lines in your changes missing coverage. Please review.

Project coverage is 74.98%. Comparing base (3679279) to head (1b9f395).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
alignn/graphs.py 15.62% 27 Missing ⚠️
alignn/lmdb_dataset.py 72.30% 18 Missing ⚠️
alignn/train.py 71.42% 6 Missing ⚠️
alignn/train_alignn.py 64.70% 6 Missing ⚠️
alignn/models/alignn_atomwise.py 63.63% 4 Missing ⚠️
alignn/data.py 50.00% 1 Missing ⚠️

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Additional details and impacted files
@@            Coverage Diff             @@
##             main     #186      +/-   ##
==========================================
- Coverage   75.35%   74.98%   -0.37%     
==========================================
  Files          20       20              
  Lines        3619     3682      +63     
==========================================
+ Hits         2727     2761      +34     
- Misses        892      921      +29     

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