Molass Library is a rewrite of MOLASS, a tool for the analysis of SEC-SAXS experiment data currently hosted at the Japanese synchrotron radiation facilities, Photon Factory and SPring-8
Tested Platforms
Continuous integration tests run on:
- Python 3.12, 3.13, 3.14 on Ubuntu (latest)
- Python 3.12, 3.13, 3.14 on Windows (latest)
Installation
Requirements: Python 3.12, 3.13, or 3.14
Linux (Ubuntu/Debian) prerequisites:
Before installing on Linux, ensure system build tools are available (needed to compile C extensions such as ultranest):
sudo apt install build-essential python3-dev
To install this package, use pip as follows:
pip install -U molass
pip install molass_data # Sample datasets for tutorials and testing
For development (requires molass-legacy as a sibling directory):
git clone https://github.com/biosaxs-dev/molass-library
git clone https://github.com/biosaxs-dev/molass-legacy
cd molass-library
pip install -e ".[testing]"
pip install molass_data
Quick Start
For a hands-on introduction, see the tutorial's Quick Start section, or run the corresponding test file:
pytest tests/tutorial/01-quick_start.py -v
Note: Running tests requires the development install. See CONTRIBUTING.md for setup instructions.
The molass-beginner repository provides an interactive onboarding experience in VS Code Agent mode.
Documentation
- Beginner Onboarding: https://github.com/biosaxs-dev/molass-beginner — Agent-mode first-run guide, for first-time users
- 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
- Contributing: CONTRIBUTING.md — how to contribute
- Support: GitHub Issues — questions, bugs, and feature requests
Especially for testing, see the first two sections in
Copilot Usage
Context is auto-loaded from .github/copilot-instructions.md when using GitHub Copilot in Agent mode (AI Context Standard).
For behavioral rules and user-type guidance, see 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
excelextra installspywin32, which is required for Excel reporting and only works on Windows.
2 maintainers
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