File "Dataloader.py", line 158, in <module>
print(CNNF_Test[1].shape)
File "Dataloader.py", line 124, in __getitem__
return np.array([self.featurizer.featurize(self.CifLoader[idx],i) for i in range(len(self.CifLoader[idx]))])
File "Dataloader.py", line 124, in <listcomp>
return np.array([self.featurizer.featurize(self.CifLoader[idx],i) for i in range(len(self.CifLoader[idx]))])
File "/home/michael/anaconda3/envs/pytorch3d/lib/python3.7/site-packages/matminer/featurizers/site.py", line 479, in featurize
nndata = self.cnn.get_nn_data(struct, idx)
File "/home/michael/anaconda3/envs/pytorch3d/lib/python3.7/site-packages/pymatgen/analysis/local_env.py", line 3348, in get_nn_data
X1 = structure[n].specie.X
File "/home/michael/anaconda3/envs/pytorch3d/lib/python3.7/site-packages/pymatgen/core/sites.py", line 79, in __getattr__
raise AttributeError(a)
AttributeError: specie
When attempting to use the CrystalNNFingerprint site feauturizer there’s a consistent error where the script fails due to the the structures apparently not having species for given members. Is this a known issue?