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As per the project description, it should provide Reproducible calculation. Docker is a great tool to isolate the dependencies and make the environment reproducible which will increase the total reproducibility of the project calculations. It means that the same configuration will be executed in the same way on any OS and on any setup (Windows, Linux, macOS).

https://www.docker.com/

Docker also allows avoiding installing all the dependencies to your local machine. It means that you can install only docker on your clean installation of Linux (for example) and run this repo right away without installing conda or any other tool.

With installed docker you only need to run docker-compose up in the project root. The image will be built according to configuration (will take 2-3min at first run) and a container will be created (processing will be started)

Screenshot of running container:
run

Full calculation is done inside the docker container:
done

Also added to .gitignore files that are being added during the calculations.

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