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The warning looks like this;

[12:03:35] DEPRECATION WARNING: please use GetValence(which=)

The commit fixes it. To test, run:

python -c 'from rdkit import Chem; from chembl_structure_pipeline import standardizer; mol = Chem.MolFromSmiles("CCCCCC"); standardizer.standardize_mol(mol)'

Check the release notes for the deprecation:
https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md#:~:text=Replace%20GetImplicitValence()%20and%20GetExplicitValence()%20with%20GetValence()%20(github%20pull%20%237926%20from%20greglandrum)

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