Saicharan commited on
Commit
0b2b170
·
1 Parent(s): d8a04dc

SA score added

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Files changed (1) hide show
  1. molgenevalmetric.py +1 -1
molgenevalmetric.py CHANGED
@@ -243,7 +243,7 @@ def average_sascore(gen, n_jobs=1):
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  - float: Average SA score, or None if no scores could be computed.
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  """
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- scores = mapper(n_jobs)(calculate_sa_score, molecules)
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  # Filter out None values which indicate failed molecule creation
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  valid_scores = [score for score in scores if score is not None]
 
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  - float: Average SA score, or None if no scores could be computed.
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  """
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+ scores = mapper(n_jobs)(calculate_sa_score, gen)
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  # Filter out None values which indicate failed molecule creation
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  valid_scores = [score for score in scores if score is not None]