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.