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chemistry_tools
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repo_helper.yml
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.github\workflows\python_ci_macos.yml
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.github\workflows\python_ci_linux.yml
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.github\workflows\python_ci.yml
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.pre-commit-config.yaml
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.github\workflows\conda_ci.yml
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chemistry_tools\spectrum_similarity.py
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.github\workflows\mypy.yml
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doc-source\requirements.txt
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__pkginfo__.py
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.github\workflows\flake8.yml
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doc-source\conf.py
4 9 -
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chemistry_tools\formulae\parser.py
27 9 -
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chemistry_tools\pubchem\properties.py
32 9 -
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chemistry_tools\pubchem\compound.py
59 9 4
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chemistry_tools\elements\classes.py
44 7 5
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chemistry_tools\formulae\species.py
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requirements.txt
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chemistry_tools\pubchem\requirements.txt
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.github\workflows\docs_test_action.yml
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