The echemdb repository contains high quality experimental and theoretical data on electrochemical systems. The standardized and validated data displayed on the projects website so far is from the community and publications aiming at fullfilling the FAIR principles.

The repository can be browsed on our websites or explored with a Python API.

For developers

The build of the website can be tested locally with the following steps.

Installation

Clone the repository

git clone [email protected]:echemdb/website.git

Install dependencies (mamba or conda)

cd website
mamba env create --file environment.yaml
mamba activate echemdb-website
pip install -e .

Build website

mkdcos serve

The generated HTML files are located in generated/website

Entries for the individual cyclic voltammograms are created from datapackaes in data/generated/svgdigitizer. Follow the next section to create such data.

Convert literature to datapackages

To digitize all data

cd data
make

To run the svgdigitizer in parallel on 8 cores, use instead

make -j8

We can also only digitize a single data set

make generated/svgdigitizer/mello_2018_understanding_J3045/mello_2018_understanding_J3045_p1_f1H_black.csv

To digitize data from a different source directory than literature/ use

make SOURCE_DIR=/another/path

Code changes

If you make changes to the code test the modules with

pytest --doctest-modules website
pylint website
isort website
black website

License

The contents of this repository are licensed under the GNU General Public License v3.0 or, at your option, any later version. The contents of data/ and literature/ are additionally licensed under the Creative Commons Attribution 4.0 International License.