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XChem Business Knowledge Unit. Service, Client, API, persistent store.

Project description

XChem Business Knowledge Unit. Service, Client, API, persistent store.

Installation

pip install xchembku

xchembku --version

Documentation

See https://www.cs.diamond.ac.uk/xchembku for more detailed documentation.

Building and viewing the documents locally:

git clone git+https://gitlab.diamond.ac.uk/scisoft/bxflow/xchembku.git
cd xchembku
virtualenv /scratch/$USER/venv/xchembku
source /scratch/$USER/venv/xchembku/bin/activate
pip install -e .[dev]
make -f .xchembku/Makefile validate_docs
browse to file:///scratch/$USER/venvs/xchembku/build/html/index.html

Topics for further documentation:

  • TODO list of improvements

  • change log

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