Bug on icml18-jtnn/fast_jtnn/chemutils.py", line 324, in check_aroma

wengong-jin / icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

MIT License

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Open huangwb opened 5 years ago

huangwb commented 5 years ago

Erro comes: “ if len(benzynes) + len(penzynes) == 0: NameError: name 'benzynes' is not defined ” So I go to Line 324 and check the codes nearby

aenzynes = [get_nid(node) for node in nei_nodes + [ctr_node] if node.smiles in Vocab.benzynes]

It seems that aenzynes should be benzynes

wengong-jin commented 5 years ago

Hi,

I didn't find the line aenzynes in fast_jtnn/chemutils.py. Could you pull the latest version from github?

Wengong