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b311d31 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 | [metadata]
name = mxgap
version = 0.6
description = ML models to predict terminated MXene bandgaps.
long_description = file: README.md
long_description_content_type = text/markdown
author = Diego Ontiveros
author_email = diego.ontiveros@ub.edu
url = https://github.com/diegonti/mxgap
license = MIT
license_file = LICENSE
classifiers =
Programming Language :: Python :: 3
Programming Language :: Python :: 3.9
Programming Language :: Python :: 3.10
Programming Language :: Python :: 3.11
Programming Language :: Python :: 3.12
License :: OSI Approved :: MIT License
Operating System :: OS Independent
Topic :: Scientific/Engineering :: Chemistry
Topic :: Software Development :: Libraries :: Python Modules
[options]
packages = find:
package_dir =
mxgap = mxgap
include_package_data = True
install_requires =
scikit-learn==1.4.1.post1
numpy
ase
pymatgen
pytest
python_requires = >=3.9, <3.13
[options.entry_points]
console_scripts =
mxgap = mxgap.cli:cli
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