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Return every atom map per reaction and cluster them into distinct reaction channels - #1024

Merged
calvinp0 merged 13 commits into
mainfrom
atom_map_clustering
Sep 5, 2026
Merged

Return every atom map per reaction and cluster them into distinct reaction channels#1024
calvinp0 merged 13 commits into
mainfrom
atom_map_clustering

fix: create job directories without a check-then-create race

b7aa476
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Codecov / codecov/project succeeded Sep 5, 2026 in 1s

65.67% (+0.01%) compared to 54d7e8e

View this Pull Request on Codecov

65.67% (+0.01%) compared to 54d7e8e

Details

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 65.67%. Comparing base (54d7e8e) to head (b7aa476).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1024      +/-   ##
==========================================
+ Coverage   65.65%   65.67%   +0.01%     
==========================================
  Files         120      121       +1     
  Lines       40516    41018     +502     
  Branches    10441    10549     +108     
==========================================
+ Hits        26602    26937     +335     
- Misses      10920    11066     +146     
- Partials     2994     3015      +21     

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