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Parameterisation of ODE models using the brenda database and AI tools

Project description

Parameteriser

pipeline status coverage report Documentation PyPi Code style: black Checked with mypy security: bandit Downloads

Installation

Basic

If you just want to interface the brenda database, you can use uv

uv sync or uv sync --extra dev if you also want to install e.g. jupyter notebook.

Then choose the resulting virtual environment in .venv/bin/python

Full

This is currently broken due to a numpy 1 / 2 version mismatch

If you also want to enable experimental features, such as interfacing the deepmolecules package, use pixi.

pixi install

The choose the resulting virtual environment in .pixi/envs/default/bin/python

License

GPL 3

Documentation

The official documentation is hosted here on gitlab.

Issues and support

If you experience issues using the software please contact us through our issues page.

Contributing

All contributions, bug reports, bug fixes, documentation improvements, enhancements and ideas are welcome. See our contribution guide for more information.

Project details


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