Hanjun-Dai / pytorch_structure2vec

pytorch implementation of structure2vec (https://arxiv.org/abs/1603.05629)

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RDKit::BadFileException

heyuanhao opened this issue · comments

When enter ‘python mol_lib.py ’,error occurs as follows:

pytorch_structure2vec/harvard_cep$ python mol_lib.py
filename =
terminate called after throwing an instance of 'RDKit::BadFileException'
what(): BadFileException
已放弃 (核心已转储)