mordred-descriptor/mordred

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NameLines of codeMaintainabilityTest coverage
.github/ISSUE_TEMPLATE/bugs.md
.github/ISSUE_TEMPLATE/feature-request.md
.github/PULL_REQUEST_TEMPLATE.md
.gitignore
.travis.yml
CONTRIBUTING.md
LICENSE
README.rst
docs/Makefile
docs/conf.py64
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docs/index.rst
docs/introduction.rst
docs/matrix.rst
docs/mordred.rst
docs/refs.bib
docs/scripts/__init__.py0
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docs/scripts/gen_atomic_props.py11
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docs/scripts/gen_default_descs.py60
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docs/scripts/gen_descriptor_doc.py50
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docs/scripts/gen_descriptor_list_xlsx.py32
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docs/scripts/load_path.py5
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docs/subpackages/mordred.descriptors.rst
docs/subpackages/mordred.error.rst
docs/subpackages/mordred.surface_area.rst
docs/subpackages/subpackages.rst
examples/010-single_mol-single_desc.py9
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examples/020-single_mol-multiple_desc.py20
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examples/030-multiple_mol-multiple_desc.py13
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examples/110-descriptor-arithmetic.py8
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examples/article/Code2.py6
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examples/article/Code3.py4
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examples/article/Code4.py4
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examples/article/Code5.py10
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examples/article/Code6.py8
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examples/article/Code7.py7
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examples/article/Code8.py8
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extra/ci/after_success.sh
extra/ci/before_install.sh
extra/ci/bump-dev-version.py11
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extra/ci/common.sh
extra/ci/gen_conda_build_config.py6
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extra/ci/get-rdkit-version.py12
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extra/ci/install.sh
extra/ci/test_script.sh
extra/gen_sdf_file.py22
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extra/id_rsa.enc
extra/requirements/rdkit-versions.txt
extra/requirements/requirements-conda.txt
extra/requirements/requirements-pip.txt
meta.yaml