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Update install method, PyPI GitHub actions workflow, encoder saving/loading

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@tjkessler tjkessler released this 01 Aug 02:35
· 30 commits to master since this release
2.1.2
b5a2eab
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Learn about vigilant mode.
  • graphchem.preprocessing.MoleculeEncoder how has the save and load methods
  • graphchem.preprocessing.load_encoder allows users to load pre-saved MoleculeEncoder objects
  • Build/installation now relies on pyproject.toml instead of the deprecated setup.py
  • Added a GitHub action workflow to publish GraphChem to PyPI whenever a new version is published
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