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saicharan2804
commited on
Commit
·
389f170
1
Parent(s):
cad7bde
Removed some metrics
Browse files- molgenevalmetric.py +5 -1
molgenevalmetric.py
CHANGED
@@ -78,11 +78,14 @@ class molgenevalmetric(evaluate.Metric):
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)
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def _compute(self, generated_smiles, train_smiles = None):
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-
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Results = metrics.get_all_metrics(gen = generated_smiles, train= train_smiles)
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evaluator = Evaluator(name = 'KL_Divergence')
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KL_Divergence = evaluator(generated_smiles, train_smiles)
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Results.update({
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"KL_Divergence": KL_Divergence,
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})
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@@ -112,3 +115,4 @@ class molgenevalmetric(evaluate.Metric):
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Results.pop(key, None)
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return {"results": Results}
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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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generated_smiles = [s for s in generated_smiles if s != '']
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evaluator = Evaluator(name = 'KL_Divergence')
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KL_Divergence = evaluator(generated_smiles, train_smiles)
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Results.update({
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"KL_Divergence": KL_Divergence,
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})
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Results.pop(key, None)
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return {"results": Results}
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