change

molgenevalmetric.py

@@ -522,7 +522,7 @@ class molgenevalmetric(evaluate.Metric):
         metrics['valid'] = fraction_valid(gen=gensmi)
         metrics['unique'] = fraction_unique(gen=gensmi)
         metrics['IntDiv'] = internal_diversity(gen=gensmi)
-        # metrics['FCD'] = fcd_metric(gen = gensmi, train = trainsmi)
+        metrics['FCD'] = fcd_metric(gen = gensmi, train = trainsmi)
         # metrics['Oracles'] = oracles(gen = gensmi, train = trainsmi)
 
         print('computing')