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Fix ADME tests#344

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gbg141 merged 2 commits into
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guille/configs_and_tests
Jun 2, 2026
Merged

Fix ADME tests#344
gbg141 merged 2 commits into
mainfrom
guille/configs_and_tests

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@gbg141 gbg141 commented Jun 2, 2026

Make ADME dataset dependencies (PyTDC, rdkit) lazy imports

tdc and ogb.utils.mol were imported at the top of adme_datasets.py, crashing any dataset load if those packages were missing. Wrapped them in a module-level try/except so the names remain available for test patching when installed, but load_dataset() raises a clear ImportError with install instructions when they are not.

@gbg141 gbg141 merged commit 2fcbb2b into main Jun 2, 2026
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codecov Bot commented Jun 2, 2026

Codecov Report

❌ Patch coverage is 71.42857% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 94.03%. Comparing base (f182a43) to head (8278c45).
⚠️ Report is 6 commits behind head on main.

Files with missing lines Patch % Lines
topobench/data/loaders/graph/adme_datasets.py 71.42% 2 Missing ⚠️

❌ Your patch status has failed because the patch coverage (71.42%) is below the target coverage (80.00%). You can increase the patch coverage or adjust the target coverage.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #344      +/-   ##
==========================================
- Coverage   94.06%   94.03%   -0.04%     
==========================================
  Files         206      206              
  Lines        8726     8732       +6     
==========================================
+ Hits         8208     8211       +3     
- Misses        518      521       +3     

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