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Build a Force Field X Docker Container

Force Field X can be run locally within a Docker container, which includes support for using Jupyter Notebooks. First, clone the FFX source code repository from Github.

Build the Docker Container

Download and install Docker Desktop onto your local workstation.

After starting Docker Desktop, in a terminal window run the following command within the root FFX directory:

docker build --no-cache -t ffxdocker -f Dockerfile .

Run the Container in a Terminal Window

To launch the FFX container in a terminal window, run the command:

docker run -it --rm ffxdocker bash

Check that FFX is in your path:

which ffxc

Use Jupyter Notebooks Locally in Web Browser

To launch an FFX Jupyter Notebook interface in a web browser, run the command:

docker run -it --rm -p 8888:8888 ffxdocker

To launch an FFX Jupyter Lab interface in a web browser, run the command:

docker run -it --rm -p 8888:8888 ffxdocker jupyter lab --ip=0.0.0.0

Both Java and Kotlin notebooks are available.