Code change

my_metric.py

@@ -95,15 +95,15 @@ class my_metric(evaluate.Metric):
         evaluator = Evaluator(name = 'Validity')
         Validity = evaluator(generated_smiles)
 
-        # oracle = Oracle(name = 'QED')
-        # QED = oracle(generated_smiles)
-
-        # oracle = Oracle(name = 'SA')
-        # SA = oracle(generated_smiles)
-
-        # oracle = Oracle(name = 'MPO')
-        # MPO = oracle(generated_smiles)
-        # MPO = {key: sum(values)/len(values) for key, values in MPO.items()}
+                
+        Results.update({
+            "PyTDC_Diversity": Diversity,
+            "PyTDC_KL_Divergence": KL_Divergence,
+            "PyTDC_FCD_Distance": FCD_Distance,
+            "PyTDC_Novelty": Novelty,
+            "PyTDC_Validity": Validity,
+        })
+        
 
         oracle_list = [
         'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',
@@ -129,17 +129,5 @@ class my_metric(evaluate.Metric):
             
             Results.update({f"PyTDC_{oracle_name}": score})
     
-        
-            # Results.update({
-            #     "PyTDC_Diversity": Diversity,
-            #     "PyTDC_KL_Divergence": KL_Divergence,
-            #     "PyTDC_FCD_Distance": FCD_Distance,
-            #     "PyTDC_Novelty": Novelty,
-            #     "PyTDC_Validity": Validity,
-
-            #     "PyTDC_QED": sum(QED)/len(QED),
-            #     "PyTDC_SA": sum(SA)/len(SA),
-            #     "PyTDC_MPO": MPO
-            # })
 
         return {"results": Results}