VincentH23

Error run vocabulary.py

3

Hi! I'm very interesting in your works. I would like to reproduce your results but I have a problem when I run vocabulary.py error :"rdkit.Chem.rdchem.KekulizeException: Can't kekulize mol. Unkekulized atoms:...

Similarity-constrained Penalized logP Maximization

10

Hi, I would like to reproduce your experiment on constrained optimization of plogp, but I could not find the corresponding code in your repo (Table 3). Is it possible to...