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by using pandas, we can streamline our table writing, and make it easier to adjust formatting in a `--report``-agnostic way.

rdkit already pulls in pandas, so this doesn't add a new dependency.

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@atravitz atravitz requested review from IAlibay and mikemhenry April 23, 2025 00:28
@atravitz atravitz mentioned this pull request Apr 23, 2025
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codecov bot commented Apr 23, 2025

Codecov Report

Attention: Patch coverage is 88.46154% with 3 lines in your changes missing coverage. Please review.

Project coverage is 92.68%. Comparing base (2b79724) to head (66ae505).
Report is 164 commits behind head on main.

Files with missing lines Patch % Lines
openfecli/commands/gather.py 88.46% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1244      +/-   ##
==========================================
- Coverage   93.40%   92.68%   -0.72%     
==========================================
  Files         163      141      -22     
  Lines       12206    10791    -1415     
==========================================
- Hits        11401    10002    -1399     
+ Misses        805      789      -16     
Flag Coverage Δ
fast-tests 92.68% <88.46%> (-0.72%) ⬇️

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@atravitz atravitz marked this pull request as ready for review April 23, 2025 14:26
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No API break detected ✅

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As per slack - we gave up on lightweight a loooong time ago (we can clean up later if we want).

@atravitz atravitz merged commit 1bbe2d9 into main Apr 23, 2025
12 of 13 checks passed
@atravitz atravitz deleted the add_pandas branch April 23, 2025 16:23
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3 participants