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V0.1.0 The first release

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@Ingvarstep Ingvarstep released this 15 Feb 16:01
· 4 commits to main since this release
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Supported functions:

  • smiles_to_iupac - converts a SMILES representation to an IUPAC name;
  • iupac_to_smiles - converts an IUPAC name ot a SMILES representation;
  • validate_iupac - validates the conversion accuracy of a chemical representation by performing a round-trip conversion.