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setup.cfg
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setup.cfg
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[metadata]
name = mmpdb
version = 3.1
description = A package to identify matched molecular pairs and use them to predict property changes
author = Andrew Dalke
author_email = [email protected]
maintainer = Christian Kramer
maintainer_email = [email protected]
long_description = file: README.md
url = https://github.com/rdkit/mmpdb
license_file = LICENSE.txt
classifiers =
Development Status :: 5 - Production/Stable
Environment :: Console
Intended Audience :: Science/Research
Operating System :: Unix
Programming Language :: Python :: 3
Topic :: Scientific/Engineering :: Chemistry
keywords = matched molecular pair, MMP, cheminformatics
[options]
zip_safe = True
include_package_data = True
packages =
mmpdblib
mmpdblib.cli
install_requires =
click
peewee >= 3.0
scipy
[options.package_data]
mmpdblib = schema.sql, create_index.sql, drop_index.sql, fragment_schema.sql, fragment_create_index.sql
[options.entry_points]
console_scripts =
mmpdb = mmpdblib.cli:main
[bdist_wheel]
universal=1
[pycodestyle]
max-line-length = 120
ignore = E266,E203,W503