Pan Feng

Thank you for providing such convenient and powerful framework, while in my practice, my project shown that when using your GAT layer in my model, the output is not deterministic,...

Hi, thank you for sharing your excellent work, may I ask for the split 5-fold human dataset please? Or could you provide the specific random seed that you use for...

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

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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...