Fix ADME dependencies#343
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…ic-intelligence/TopoBench into guille/configs_and_tests
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Make ADME dataset dependencies (
PyTDC,rdkit) lazy importstdcandogb.utils.molwere imported at the top ofadme_datasets.py, causingModuleNotFoundErrorwhen loading any dataset even if no ADME data was involved. Moved the imports insideload_dataset()behind atry/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.