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f4a60c4
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1 Parent(s): 078fcbb

Update inference.py

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  1. inference.py +1 -0
inference.py CHANGED
@@ -153,6 +153,7 @@ class Inference(object):
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  drug_mols = [Chem.MolFromSmiles(smi) for smi in drug_smiles]
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  drug_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in drug_mols if x is not None]
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  # Make directories if not exist.
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  if not os.path.exists("experiments/inference/{}".format(self.submodel)):
 
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  drug_mols = [Chem.MolFromSmiles(smi) for smi in drug_smiles]
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  drug_vecs = [AllChem.GetMorganFingerprintAsBitVect(x, 2, nBits=1024) for x in drug_mols if x is not None]
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+ print(chembl_test[0])
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  # Make directories if not exist.
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  if not os.path.exists("experiments/inference/{}".format(self.submodel)):