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v0.1.4: Merge pull request #25 from openforcefield/stereo-fix

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@ChayaSt ChayaSt released this 16 May 03:12
· 32 commits to master since this release
v0.1.4
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The changes in this release are:

  • Generate atom labeled SMILES used for human readable QCArchive labels
  • rdkit molecules do not drop explicit H when loading a molecule from and explicit H SMILES
  • Workaround for detecting stereochemistry with map indices
  • Fixed bug when loading an openeye molecule from a JSON molecule
  • Better handling of checking for missing stereochemistry
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