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MarcusOlivecrona / REINVENT

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

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SMILES Parse Error

zhangbingfeng opened this issue · comments

commented

when I used train_agent.py,This will happen：
SMILES Parse Error: syntax error for input: '-2)2GOOc'
[10:19:53] SMILES Parse Error: syntax error for input: '()GO(O'
[10:19:53] SMILES Parse Error: syntax error for input: '2-212121O'
[10:19:53] non-ring atom 0 marked aromatic
[10:19:53] SMILES Parse Error: syntax error for input: 'GO2'
[10:19:53] SMILES Parse Error: syntax error for input: '(GO'
[10:19:53] SMILES Parse Error: extra close parentheses for input: 'O11)-c-c-GOc)((-2c)GO1'
[10:19:53] SMILES Parse Error: syntax error for input: 'GOcO-(cGO-2((c--1GO-'

What is the matter, please?
Thanks