AttributeError: module `'rdkit.Chem.Draw'` has no attribute `'_okToKekulizeMol'`
sgalpha01 opened this issue · 2 comments
I recently joined the Slack community of M2D2
. There someone suggested getting started with this video. I was following the first talk, which was on datamol
. I spun a Colab
instance to follow the talk and replicate the code. I faced a few problems while doing that.
-
Conda
is not installed inColab
, so I tried installing by! pip install datamol
.
I got the following error while importingdatamol
:
ModuleNotFoundError: No module named 'rdkit'
My concern here: Shouldn'tpip
also install therdkit
dependency by default? -
I installed
rdkit
by! pip install rdkit
. Now I can importdatamol
successfully. But, if I try to run:
mol = dm.to_mol("CCO")
dm.to_image([mol], indices=True)
I'm getting the following error:
AttributeError: module 'rdkit.Chem.Draw' has no attribute '_okToKekulizeMol'
The error related to _okToKekulizeMol
is due to the latest recently released version of RDKit and it's fixed at #145.
I will release a new version of datamol in the next few hours.
Note that you can install conda with https://github.com/conda-incubator/condacolab
Shouldn't pip also install the rdkit dependency by default?
Yes you're right. Originally rdkit wasn't available on PyPi but now it is so we should add it.
@sgalpha01 I have just released datamol 0.8.0. Let me know if you have any more trouble.