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molgenevalmetric

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saicharan2804 commited on Feb 29, 2024

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05d2d7d

1 Parent(s): 18133b0

GSKB restored

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molgenevalmetric.py CHANGED Viewed

@@ -107,7 +107,7 @@ class molgenevalmetric(evaluate.Metric):
         oracle_list = [
-        'QED', 'SA', 'MPO', 'JNK3',
         'DRD2', 'LogP', 'Rediscovery', 'Similarity',
         'Median', 'Isomers', 'Valsartan_SMARTS', 'Hop'
         ]

         oracle_list = [
+        'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',
         'DRD2', 'LogP', 'Rediscovery', 'Similarity',
         'Median', 'Isomers', 'Valsartan_SMARTS', 'Hop'
         ]