MarcusOlivecrona / REINVENT

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

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errors when I ran ./data_structs.py mols.smi from REINVENT directory

xuzhang5788 opened this issue · comments

from: can't read /var/mail/rdkit
from: can't read /var/mail/torch.utils.data
from: can't read /var/mail/utils
./data_structs.py: line 13: syntax error near unexpected token (' ./data_structs.py: line 13: class Vocabulary(object):'

Any advice? Thanks

I have downgraded Pytorch to 0.1.12

Looks like your python installation is a little bit wracked. It wants to read from /var/mail/rdkit but it can’t

I think the interpreter may be wrong. I mean this is not in a python runtime.
Please try: python data_structs.py. First you should make sure your python environment is right.