Imports fail in "Grid single molecule" tutorial

[mgarort]

Hi,

I am trying to follow the tutorial Grid single molecule and unfortunately the import of OpenBabel fails. I am not sure what I could be doing wrong since I'm using a fresh conda installation and it's the third line in the tutorial.

      1 import torch                                                                                                                              
      2 import molgrid                                                                                                                            
----> 3 from molgrid.openbabel import pybel as pybel                                                                                              
                                                                                                                                                  
ModuleNotFoundError: No module named 'molgrid.openbabel'

My installation was done with

conda create -n molgrid python=3.7
source activate molgrid
conda install -c conda-forge rdkit
conda install -c conda-forge openbabel
conda install -c jsunseri molgrid
conda install pytorch
conda install ipython

Many thanks in advance.

[dkoes]

You need to install 0.5.1 with pip to get the openbabel submodule.

[dkoes]

See Issue #62 for why there is a submodule and the potential issues with interfacing with openbabel.

[mgarort]

Thank you for the quick response! That makes sense. Installing version 0.5.1 with pip solves the issue.