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v0.6.0

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@maabuu maabuu released this 12 Nov 13:03
· 8 commits to main since this release
cc03982

Energy ratio check:

  • Add explicit hydrogens that replace implicit hydrogens or radicals.
  • Optimize the positions of the added hydrogens.

Chemical sanity check:

  • Add no_radicals test that passes only when molecule has no radicals after sanitization.

Software life cycle:

  • Add support for Python 3.14 and drop 3.9
  • Set development status to beta