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Allow the user to supply starting conformers from an SDF#78

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fjclark merged 2 commits into
mainfrom
feature-conformers-from-sdf
Jul 13, 2026
Merged

Allow the user to supply starting conformers from an SDF#78
fjclark merged 2 commits into
mainfrom
feature-conformers-from-sdf

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@fjclark

@fjclark fjclark commented Jul 13, 2026

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Description

Allow the user to supply starting conformers from an SDF

Status

  • Ready to go

@codecov

codecov Bot commented Jul 13, 2026

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Codecov Report

❌ Patch coverage is 93.75000% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 92.89%. Comparing base (43cd405) to head (6835b1e).
⚠️ Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
presto/load_molecules.py 82.14% 5 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #78      +/-   ##
==========================================
+ Coverage   92.85%   92.89%   +0.03%     
==========================================
  Files          26       26              
  Lines        2843     2912      +69     
==========================================
+ Hits         2640     2705      +65     
- Misses        203      207       +4     

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@fjclark fjclark merged commit 74d5c7f into main Jul 13, 2026
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@fjclark fjclark deleted the feature-conformers-from-sdf branch July 13, 2026 16:14
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