Metadata-Version: 2.3
Name: alphafold3-input
Version: 0.3.1
Summary: AlphaFold 3 input schema models.
Keywords: alphafold3,pydantic,bioinformatics,job-definition,input-generation,json,json-schema
Author: Igor Koop
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.12
Classifier: License :: OSI Approved :: MIT License
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Typing :: Typed
Requires-Dist: pydantic>=2.13.4
Requires-Dist: rdkit>=2026.3.3
Requires-Python: >=3.12
Project-URL: Changelog, https://github.com/igor-koop/alphafold3_input/releases
Project-URL: Documentation, https://igor-koop.github.io/alphafold3_input/
Project-URL: Issues, https://github.com/igor-koop/alphafold3_input/issues
Project-URL: Repository, https://github.com/igor-koop/alphafold3_input
Description-Content-Type: text/markdown

# alphafold3_input

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[![License](https://img.shields.io/github/license/igor-koop/alphafold3_input)](https://github.com/igor-koop/alphafold3_input/blob/main/LICENSE)
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[![Type](https://img.shields.io/badge/typing-ty-7c3aed)](https://docs.astral.sh/ty/)
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Pythonic, object-oriented models for constructing **AlphaFold 3** input files.

This package provides typed models and utilities that abstract the AlphaFold 3 JSON input format into a clean, validated Python interface.

For details on the underlying specification, see the official [AlphaFold 3 input specification](https://github.com/google-deepmind/alphafold3/blob/main/docs/input.md).

---

## Installation

Install the latest published release from PyPI:

```bash
uv add alphafold3_input
```

or:

```bash
pip install alphafold3_input
```

Install the current development version directly from GitHub:

```bash
uv add git+https://github.com/igor-koop/alphafold3_input
```

or:

```bash
pip install "git+https://github.com/igor-koop/alphafold3_input"
```

## Documentation

Full API documentation is available at: https://igor-koop.github.io/alphafold3_input/

## Development

```bash
git clone https://github.com/igor-koop/alphafold3_input
cd alphafold3_input

uv sync --dev
```

## License

The scripts and documentation in this project are released under the [MIT License](https://github.com/igor-koop/alphafold3_input/blob/main/LICENSE).
