I am unable to run because the environment.yml doesn't install the RDKToolkit, so it fails when including encode.py.
I am currently trying it with the enviroment.yml modified to include this module.
channels:
.....
- rdkit
....
dependencies:
.....
- rdkit=2018.09.1.0=py36h71b666b_1
.....
And I will update you on my outcome.
I am unable to run because the environment.yml doesn't install the RDKToolkit, so it fails when including encode.py.
I am currently trying it with the enviroment.yml modified to include this module.
channels:
.....
....
dependencies:
.....
.....
And I will update you on my outcome.