MD-IFP.yml does not contain nglview information

[abazabaaa]

Hi,

I created the env listed within the read me and attempted IFP_generation_examples_PDB.ipynb, but was unable to import nglview.

Trying to use conda to install nglview broke the env as the version of numpy changed. I was wondering if you had more details on which version of nglview you used.

[abazabaaa]

I believe this can be solved by using the following after creating the env described in the yml file:

conda install -c conda-forge nglview=2.7.1

then

jupyter-nbextension enable nglview --py --sys-prefix

I was able to run through the first NB (IFP_generation_examples_PDB). I'll test the others.

[DKokh]

Thanks, I'll include this info in JN