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I think I'm experiencing a somewhat similar issue, maybe this will help out a bit. I started with torchdrug last week, so I did not work with any other version...

@jasperhyp I built from the same commit and I redownloaded the ClinTox dataset, now `dataset.node_feature_dim == 66`. In the meantime I did some additional digging in the `from_molecule` function which...

I think we got it 😊 I kind of suspected that. I remember #170 , I reinstalled `rdkit` for that reason, but later on I also remember checking out `pip...

For anyone working on OSX (M1), I was able to succeed using version 2021.9.4. ```py pip install rdkit-pypi-2021.9.4 ```

Thank you for this!