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setup.cfg
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[metadata]
name = FABULOUS
version = 0.0.1.dev1
description = Collective variable discovery
long_description = file: README.md
long_description_content_type = text/markdown
author = Ferry Hooft, Alberto Pérez de Alba Ortíz and Bernd Ensing
author_email = [email protected]
license = LGPL 3+
url = https://github.com/Ensing-Laboratory/FABULOUS
classifiers =
Development Status :: 3 - Alpha
Intended Audience :: Science/Research
License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Operating System :: OS Independent
Programming Language :: Python :: 3
Topic :: Scientific/Engineering :: Bio-Informatics
Topic :: Scientific/Engineering :: Chemistry
[options]
include_package_data = True
install_requires =
numpy
mdtraj
pandas
matplotlib
dict-hash
tensorflow
scikit-learn
packages = find:
[bdist_wheel]
universal=1