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Hanjun-Dai / pytorch_structure2vec

pytorch implementation of structure2vec (https://arxiv.org/abs/1603.05629)
MIT License
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libmol.so: file too short #9

Closed caijiangyao1991 closed 5 years ago

caijiangyao1991 commented 6 years ago

python main.py -gm mean_field -saved_model saved/mean_field.model -phase test -mode cpu Traceback (most recent call last): File "main.py", line 3, in from mol_lib import MOLLIB, MolGraph File "/home/caijiangyao/structure2vec/harvard_cep/mol_lib.py", line 115, in MOLLIB = _mol_lib() File "/home/caijiangyao/structure2vec/harvard_cep/mol_lib.py", line 12, in init self.lib = ctypes.CDLL('%s/build/dll/libmol.so' % dir_path) File "/usr/lib/python2.7/ctypes/init.py", line 366, in init self._handle = _dlopen(self._name, mode) OSError: /home/caijiangyao/structure2vec/harvard_cep/build/dll/libmol.so: file too short

Hanjun-Dai commented 6 years ago

can you try to clean everything and recompile it?

caijiangyao1991 commented 6 years ago

@Hanjun-Dai thanks it works , but i don't have gpu so i still can't run... i have another question,i don't really understand this data structure , just know the last data means the PCE values [SiH2]1C=CC=C1c1cc2c3c[nH]cc3c3c4[se]ccc4c4cocc4c3c2o1 2.06

Hanjun-Dai commented 6 years ago

Yes the last column corresponds to PCE