ImportError: cannot import name 'MolRandomizer' from 'pysmilesutils.augment'

[MagicPF]

Dear authors, I have installed latest pysmileutils from your repo, while I cannot run the MolBART due to following : ImportError: cannot import name 'MolRandomizer' from 'pysmilesutils.augment' (/xxxx/xxxx/xxxx/anaconda3/envs/xxxx/lib/python3.9/site-packages/pysmilesutils/augment.py).

Is it versioning problem? How can I solve it?

Best Regards,

Eric

[EBjerrum]

This repository is kind of deprecated,. I would recommend that you either look at megamolbart from nvidia (https://github.com/NVIDIA/MegaMolBART which this project was a stepstone for), or take a look at chemformer which are more maintained (https://github.com/MolecularAI/Chemformer). Sorry for the name confusion.