search

Hanjun-Dai / pytorch_structure2vec

pytorch implementation of structure2vec (https://arxiv.org/abs/1603.05629)
MIT License
305 stars 76 forks source link

RDKit::BadFileException #17

Open heyuanhao opened 5 years ago

heyuanhao commented 5 years ago

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)