Metadata-Version: 2.4
Name: biomol
Version: 1.0.0
Summary: ML-ready biomolecular data handling package.
Project-URL: Homepage, https://biomol.readthedocs.io
Project-URL: Documentation, https://biomol.readthedocs.io
Project-URL: Repository, https://github.com/CSSB-SNU/BioMol
Project-URL: Issues, https://github.com/CSSB-SNU/BioMol/issues
Project-URL: Changelog, https://github.com/CSSB-SNU/BioMol/releases
Author-email: Howon Lee <hwlee7771@snu.ac.kr>, Sanggeun Park <psk6950@snu.ac.kr>
License: MIT
License-File: LICENSE
Keywords: bioinformatics,machine-learning,molecular-biology,structural-biology
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Typing :: Typed
Requires-Python: >=3.10
Requires-Dist: numpy<3,>=2.2.6
Requires-Dist: typing-extensions<5,>=4.15.0
Requires-Dist: zstandard<1,>=0.24.0
Provides-Extra: dev
Requires-Dist: build>=1.3.0; extra == 'dev'
Requires-Dist: hatchling>=1.28.0; extra == 'dev'
Requires-Dist: ipykernel>=6.30.1; extra == 'dev'
Requires-Dist: pytest>=8.4.1; extra == 'dev'
Requires-Dist: ruff>=0.11.6; extra == 'dev'
Requires-Dist: twine>=6.2.0; extra == 'dev'
Provides-Extra: docs
Requires-Dist: myst-nb>=1.3.0; extra == 'docs'
Requires-Dist: numpydoc>=1.9.0; extra == 'docs'
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Requires-Dist: sphinx>=8.1.3; extra == 'docs'
Description-Content-Type: text/markdown

# BioMol

[![Python Version](https://img.shields.io/pypi/pyversions/biomol.svg)](https://pypi.org/project/biomol/)
[![PyPI](https://img.shields.io/pypi/v/biomol.svg)](https://pypi.org/project/biomol/)

<p align="center">
  <img src="https://raw.githubusercontent.com/CSSB-SNU/BioMol/main/docs/_static/logo-light.png" width="450" alt="BioMol Logo">
</p>

BioMol is a molecular data engine that provides PyMOL-like selections and NumPy-style
operations, designed for machine learning and large-scale molecular analysis.

For more details, see the [documentation](https://biomol.readthedocs.io/en/latest/index.html).

## Installation

BioMol supports Python 3.10 and above.

### Install from PyPI

```bash
pip install biomol
```

### Install from Source

For development, BioMol uses [uv](https://docs.astral.sh/uv/) for fast dependency management:

```bash
git clone https://github.com/CSSB-SNU/BioMol
cd BioMol
uv sync
```

For development with all tools (linting, testing, etc.):

```bash
uv sync --extra dev
```
