Metadata-Version: 2.4
Name: molass
Version: 0.8.3
Summary: Matrix Optimization with Low-rank factorization for Automated analysis of SEC-SAXS
Project-URL: Repository, https://github.com/biosaxs-dev/molass-library
Author: Molass Community
Maintainer: Molass Community
License: GNU General Public License v3.0
License-File: LICENSE.txt
Keywords: SEC-SAXS
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python
Requires-Python: <3.14,>=3.12
Requires-Dist: learnsaxs
Requires-Dist: matplotlib
Requires-Dist: molass-legacy>=0.5.0
Requires-Dist: mrcfile
Requires-Dist: numba
Requires-Dist: numpy
Requires-Dist: psutil
Requires-Dist: pybaselines>=1.2.0
Requires-Dist: ruptures
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: seaborn
Requires-Dist: statsmodels
Requires-Dist: toml
Requires-Dist: tqdm
Provides-Extra: excel
Requires-Dist: pywin32; extra == 'excel'
Provides-Extra: testing
Requires-Dist: pytest; extra == 'testing'
Requires-Dist: pytest-cov; extra == 'testing'
Requires-Dist: pytest-env; extra == 'testing'
Requires-Dist: pytest-order; extra == 'testing'
Description-Content-Type: text/markdown

<h1 align="center"><a href="https://biosaxs-dev.github.io/molass-library"><img src="docs/_static/molass-title.png" width="300"></a></h1>

Molass Library is a rewrite of [MOLASS](https://pfwww.kek.jp/saxs/MOLASSE.html), a tool for the analysis of SEC-SAXS experiment data currently hosted at [Photon Factory](https://www2.kek.jp/imss/pf/eng/) and [SPring-8](http://www.spring8.or.jp/en/), Japan.

## Tested Platforms

- Python 3.13 on Windows 11
- Python 3.12 on Windows 11
- Python 3.12 on Ubuntu 22.04.4 LTS (WSL2)

## Installation

To install this package, use pip as follows:

```
pip install -U molass
```

## Documentation

- **Tutorial:** https://biosaxs-dev.github.io/molass-tutorial — practical usage, for beginners
- **Essence:** https://biosaxs-dev.github.io/molass-essence — theory, for researchers
- **Technical Report:** https://biosaxs-dev.github.io/molass-technical — technical details, for advanced users
- **Reference:** https://biosaxs-dev.github.io/molass-library — function reference, for coding
- **Legacy Repository:** https://github.com/biosaxs-dev/molass-legacy — legacy code

## Community

To join the community, see:

- **Handbook:** https://biosaxs-dev.github.io/molass-develop — maintenance, for developers

Especially for testing, see the first two sections in
- **Testing:** https://biosaxs-dev.github.io/molass-develop/chapters/06/testing.html

## Copilot Usage

Before starting a Copilot chat session with this repository, use the following magic phrase to load conventions and architecture:

> "Please read COPILOT-INIT.md to initialize"

For behavioral rules and user-type guidance, see [`Copilot/copilot-guidelines.md`](https://github.com/biosaxs-dev/molass-library/blob/master/Copilot/copilot-guidelines.md).

## Optional Features

**Excel reporting (Windows only):**

If you want to use Excel reporting features (Windows only) for backward compatibility, install with the `excel` extra:

```
pip install -U molass[excel]
```

> **Note:** The `excel` extra installs `pywin32`, which is required for Excel reporting and only works on Windows.

