mgyigit commited on
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9b2b625
1 Parent(s): 81e39b1

Update inference.py

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  1. inference.py +0 -5
inference.py CHANGED
@@ -227,11 +227,6 @@ class Inference(object):
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  "Uniqueness": fraction_unique(uniqueness_calc),
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  "Novelty (Train)": novelty(metric_calc_dr, chembl_smiles),
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  "Novelty (Inference)": novelty(metric_calc_dr, chembl_test),
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- "Novelty (AKT)": novelty(metric_calc_dr, drug_smiles),
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- "MaxLen": Metrics.max_component(uniqueness_calc, self.vertexes),
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- "MeanAtomType": Metrics.mean_atom_type(nodes_sample),
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- "SNN (ChEMBL)": average_agg_tanimoto(np.array(real_vecs), np.array(gen_vecs)),
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- "SNN (AKT)": average_agg_tanimoto(np.array(drug_vecs), np.array(gen_vecs)),
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  }
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  "Uniqueness": fraction_unique(uniqueness_calc),
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  "Novelty (Train)": novelty(metric_calc_dr, chembl_smiles),
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  "Novelty (Inference)": novelty(metric_calc_dr, chembl_test),
 
 
 
 
 
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  }
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