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molgenevalmetric.py

@@ -1,7 +1,7 @@
 import evaluate
 import datasets
-import moses
-from moses import metrics
+# import moses
+# from moses import metrics
 import pandas as pd
 from tdc import Evaluator
 from tdc import Oracle
@@ -79,10 +79,12 @@ class molgenevalmetric(evaluate.Metric):
 
     def _compute(self, generated_smiles, train_smiles = None):
         
-        Results = metrics.get_all_metrics(gen = generated_smiles, train= train_smiles)
+        # Results = metrics.get_all_metrics(gen = generated_smiles, train= train_smiles)
         
         # evaluator = Evaluator(name = 'Diversity')
         # Diversity = evaluator(generated_smiles)
+
+        Results = {}
         
         evaluator = Evaluator(name = 'KL_Divergence')
         KL_Divergence = evaluator(generated_smiles, train_smiles)