Chemical cartridge for reactions and molecules.

Use docker-compose.yaml to set up service or do installation by yourself. Password, user and port can be changed in docker-compose.yaml

docker-compose up -d

Set up your virtual environment, activate it, go into chythonDB directory and do:

pip install -U -e .

Please use jupyter notebooks from examples folder to upload data and test functionality, other documentation in progress.

All data required for examples are in dataset folder.