matchms / matchms-docs

User documentation and tutorial material for matchms

matchms-docs

User documentation and tutorial material for the matchms project. It is available in HTML and PDF at https://matchms.github.io/matchms-docs

Create environment

To run the jupyter notebooks its best to create a seperate Conda environment. You can use the environment provided in this repository:

git clone [e-mail]:matchms/matchms-docs.git
cd matchms-docs
conda env create -f environment.yml

This will create the matchms-docs environment.

Alternatively you can create a own environment by:

conda create --name matchms python=3.9
conda activate matchms
conda install --channel bioconda --channel conda-forge matchms

You may need to install additional packages from the matchms ecosystem like e.g., Spec2Vec. The dependencies are listed in the notebooks.

Contribute

These docs are generated by Jupyter Book. If you want to contribute, create the environment with the environment.yml add your notebook to notebooks folder and add it to _toc.yml. Then build the docs by:

jupyter-book build .