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/index.rst
docs/introduction.rst
docs/matrix.rst
docs/mordred.rst
docs/refs.bib
docs/subpackages/mordred.descriptors.rst
docs/subpackages/mordred.error.rst
docs/subpackages/mordred.surface_area.rst
docs/subpackages/subpackages.rst
extra/ci/after_success.sh
extra/ci/before_install.sh
extra/ci/common.sh
extra/ci/install.sh
extra/ci/test_script.sh
extra/id_rsa.enc
extra/requirements/rdkit-versions.txt
extra/requirements/requirements-conda.txt
extra/requirements/requirements-pip.txt
meta.yaml
mordred/_version.txt
mordred/data/allred_rocow_electron_negativity.txt
mordred/data/ionization_potential.txt
mordred/data/mass.txt
mordred/data/mc_gowan_volume.txt
mordred/data/pauling_electron_negativity.txt
mordred/data/polarizalibity78.txt
mordred/data/polarizalibity94.txt
mordred/data/sanderson_electron_negativity.txt
mordred/data/van_der_waals_radii.txt
setup.cfg
docs/conf.py64
A
1 hr
docs/scripts/__init__.py0
docs/scripts/gen_atomic_props.py11
docs/scripts/gen_default_descs.py60
A
25 mins
docs/scripts/gen_descriptor_doc.py50
docs/scripts/gen_descriptor_list_xlsx.py32
A
55 mins
docs/scripts/load_path.py5
examples/010-single_mol-single_desc.py9
examples/020-single_mol-multiple_desc.py20
examples/030-multiple_mol-multiple_desc.py13
examples/110-descriptor-arithmetic.py8