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Fix ADME dependencies#343

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

Fix ADME dependencies#343
gbg141 merged 2 commits into
mainfrom
guille/configs_and_tests

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@gbg141 gbg141 commented Jun 2, 2026

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Make ADME dataset dependencies (PyTDC, rdkit) lazy imports

tdc and ogb.utils.mol were imported at the top of adme_datasets.py, causing ModuleNotFoundError when loading any dataset even if no ADME data was involved. Moved the imports inside load_dataset() behind a try/except ImportError, so they are only required when an ADME dataset is actually used and the error message clearly tells the user what to install.

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gbg141 merged commit 627446a into main Jun 2, 2026
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