saicharan2804 commited on
Commit
b4c02aa
1 Parent(s): 5e2e670

Code change

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Files changed (1) hide show
  1. my_metric.py +3 -3
my_metric.py CHANGED
@@ -76,9 +76,9 @@ class my_metric(evaluate.Metric):
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  reference_urls=["https://github.com/molecularsets/moses", "https://tdcommons.ai/functions/oracles/"],
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  )
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- def _compute(self, generated_smiles, train_smiles):
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- Results = metrics.get_all_metrics(generated_smiles)
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  evaluator = Evaluator(name = 'Diversity')
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  Diversity = evaluator(generated_smiles)
@@ -103,7 +103,7 @@ class my_metric(evaluate.Metric):
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  "PyTDC_Novelty": Novelty,
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  "PyTDC_Validity": Validity,
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  })
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-
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  oracle_list = [
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  'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',
 
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  reference_urls=["https://github.com/molecularsets/moses", "https://tdcommons.ai/functions/oracles/"],
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  )
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+ def _compute(self, generated_smiles, train_smiles = None):
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+ Results = metrics.get_all_metrics(gen = generated_smiles, train= train_smiles)
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  evaluator = Evaluator(name = 'Diversity')
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  Diversity = evaluator(generated_smiles)
 
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  "PyTDC_Novelty": Novelty,
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  "PyTDC_Validity": Validity,
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  })
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+
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  oracle_list = [
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  'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',