[ERROR] Runtime.ImportModuleError: Unable to import module 'app': No module named 'sascorer' Traceback (most recent call last):

[ERROR] Runtime.ImportModuleError: Unable to import module 'app': No module named 'sascorer' Traceback (most recent call last):

Posting so it’s logged somewhere.

Is this a new dependency for datamol? Disclaimer, I didn’t update datamol in my project (lambdomics) since a couple months (I was at 0.5 before upgrading). sascorer seems to have appear in commit 8576d4b with the descriptors module, and this module is imported by default when using import datamol as dm .

sascorer seems to be a module coming from RDKit but I’m not sure. Is it just a matter of making sure to import RDKit before datamol if you use both in your project?

[adelenelai]

Hello @MichelML and @maclandrol

I did pip uninstall rdkit-pypi to leave rdkit remaining in the env as you advised.

But…things started to break and I couldn’t even do import rdkit.Chem.rdchem as rdchem any more D:

So…I did a fresh install of rdkit in a new env, then conda install -c conda-forge datamol.

After that, importing datamol was no problem 😃

Thanks a lot for your speedy help

[maclandrol]

@adelenelai Confirmed. The rdkit from pypi does not package the ‘Contrib’ module, thus it cannot be imported.

In your case, the interpreter is picking up the rdkit-pypi over the one from conda-forge. This happens likely because you pip install 'rdkit-pypi' AFTER installing datamol.

I am not sure a simple pip uninstall 'rdkit-pypi' would work, so instead you can either create a new env, or run the following:

• pip uninstall 'rdkit-pypi'
• mamba install datamol -c conda-forge --force-reinstall
• mamba install rdkit -c conda-forge --force-reinstall

As a side note, remember that if you install datamol from conda-forge, you don’t need to install rdkit anymore.

@hadim , we should remove anything that links to contrib from the __init__ for cases like this.