| [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 |
|
|
