Metadata-Version: 2.4
Name: gmol-base
Version: 0.1.0b5
Summary: Basic components of GalaxyMol
Author-email: Seoklab members <contact@seoklab.org>
Maintainer-email: Nuri Jung <jnooree@snu.ac.kr>
Project-URL: Documentation, https://gmol-base.readthedocs.io/
Project-URL: Repository, https://github.com/seoklab/gmol-base.git
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Software Development :: Libraries
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Operating System :: POSIX :: Linux
Requires-Python: <3.14,>=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: NOTICE
Requires-Dist: networkx<4.0,>=3.0
Requires-Dist: numpy
Requires-Dist: nurikit<0.2.0,>=0.1.0a16
Requires-Dist: pandas<3.0,>=2.0
Requires-Dist: pydantic<3.0,>=2.7
Requires-Dist: rdkit>=2024.3
Requires-Dist: scipy<2.0.0,>=1.15.3
Requires-Dist: tqdm
Dynamic: license-file

# gmol-base

Basic components of GalaxyMol.

## Notes to developers

Before starting development, make sure to create the virtual environment and
install the pre-commit hooks by running the following command:

```bash
uv sync
uv run pre-commit install --install-hooks --overwrite
```

Before you push to the development branch, make sure to run mypy checks for
any type-related errors.

```bash
mypy [--pretty]
```

Although it's not a strict requirement, consider following the
[conventional commits](https://www.conventionalcommits.org/en/v1.0.0/)
guidelines for commit messages. This will help reviewers to understand the
changes in a more structured way.

## License

This project is licensed under the Apache License, Version 2.0. See the
[LICENSE](LICENSE) file for details.
