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mol2any: add mol2bool element #59

Merged
merged 1 commit into from
Aug 15, 2024
Merged

mol2any: add mol2bool element #59

merged 1 commit into from
Aug 15, 2024

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JochenSiegWork
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- Add new MolToBool element that converts values to
  a bool array. Can be used for masking.

    - Add new MolToBool element that converts values to
      a bool array. Can be used for masking.
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@frederik-sandfort1 frederik-sandfort1 left a comment

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Two minor comments, thanks for implementing!

molpipeline/mol2any/mol2bool.py Show resolved Hide resolved
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@conrad-stork-basf conrad-stork-basf left a comment

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looks good to me...

@JochenSiegWork JochenSiegWork merged commit 634ecc4 into main Aug 15, 2024
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@JochenSiegWork JochenSiegWork deleted the mol_to_mask branch August 15, 2024 05:53
@c-w-feldmann c-w-feldmann added the type: enhancement New feature or request label Aug 22, 2024
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4 participants