mordred-descriptor/mordred

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NameLines of codeMaintainabilityTest coverage
examples/article/Code5.py10
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examples/article/Code4.py4
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examples/article/Code3.py4
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examples/article/Code2.py6
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examples/110-descriptor-arithmetic.py8
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examples/030-multiple_mol-multiple_desc.py13
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examples/020-single_mol-multiple_desc.py20
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examples/010-single_mol-single_desc.py9
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docs/subpackages/subpackages.rst
docs/subpackages/mordred.surface_area.rst
docs/subpackages/mordred.error.rst
docs/subpackages/mordred.descriptors.rst
docs/scripts/load_path.py5
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docs/scripts/gen_descriptor_list_xlsx.py32
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55 mins
docs/scripts/gen_descriptor_doc.py50
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docs/scripts/gen_default_descs.py60
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25 mins
docs/scripts/gen_atomic_props.py11
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docs/scripts/__init__.py0
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docs/refs.bib
docs/mordred.rst
docs/matrix.rst
docs/introduction.rst
docs/index.rst
docs/conf.py64
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docs/Makefile
README.rst
LICENSE
CONTRIBUTING.md
.travis.yml
.gitignore
.github/PULL_REQUEST_TEMPLATE.md
.github/ISSUE_TEMPLATE/feature-request.md
.github/ISSUE_TEMPLATE/bugs.md