molass 0.7.1

Matrix Optimization with Low-rank factorization for Automated analysis of SEC-SAXS

Molass Library is a rewrite of MOLASS, a tool for the analysis of SEC-SAXS experiment data currently hosted at Photon Factory and SPring-8, Japan.

To install this package, use pip as follows.

pip install -U molass

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.

For testing and development, install with the testing extra to get additional pytest plugins:

pip install -U molass[testing]

Note: The testing extra installs pytest-env and pytest-order for enhanced test execution control.

You can also combine extras as needed:

pip install -U molass[excel,testing]

For more information, see:

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

To join the community, see also:

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