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molgenevalmetric

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saicharan2804 commited on Apr 3, 2024

Commit

82e9a5c

1 Parent(s): 0e78acb

Fixed error

Files changed (1) hide show

molgenevalmetric.py CHANGED Viewed

@@ -423,8 +423,8 @@ class molgenevalmetric(evaluate.Metric):
         metrics['unique'] = fraction_unique(gen=gensmi)
         metrics['IntDiv'] = internal_diversity(gen=gensmi)
         metrics['FCD'] = fcd_metric(gen = gensmi, train = trainsmi)
-        metrics['SA'] = SAscore(gen=gensmi)
-        metrics['SCS'] = SAscore(gen=trainsmi)
         return metrics

         metrics['unique'] = fraction_unique(gen=gensmi)
         metrics['IntDiv'] = internal_diversity(gen=gensmi)
         metrics['FCD'] = fcd_metric(gen = gensmi, train = trainsmi)
+        # metrics['SA'] = SAscore(gen=gensmi)
+        # metrics['SCS'] = SAscore(gen=trainsmi)
         return metrics