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Updated matchms filtering tool to use matchms function #478

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merged 2 commits into from
Jan 15, 2024

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zargham-ahmad
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This PR includes the following:

  • updated the matchms filtering tool to use matchms is_valid_smiles, and is_valid_inchi functions
  • updated the test

closes #477

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@bgruening bgruening left a comment

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Please bump the tool version :)

Thanks and happy new year!

@zargham-ahmad
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Please bump the tool version :)

Thanks and happy new year!

done in 7fce14c
Happy new year!

@hechth hechth merged commit b797ce0 into RECETOX:master Jan 15, 2024
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Update matchms filtering tool to also validate SMILES and InChI with require filters
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