EBjerrum/SMILES-enumeration

How to use it? I'm getting: Unbalanced generation of batches

Fatima-Aslam opened this issue · 2 comments

Hi,
Can you please guide me, how to use it?
When I use this command
python SmilesEnumerator.py
I got this
Unbalanced generation of batches
Thank you!

It's a python object, so you need to import the class in python and use it there, look at the readme.md for instructions. If you just run it from the command line it will run some standard tests.

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