This workshop source repository contains the build recipe for a docker container derived from the CCPBioSim JupyterHub image. This container adds the necessary software packages and notebook content to form a deployable course container.
This workshop introduces the application of Machine Learning methods (specifically, PCA and clustering) to the analysis of protein simulation data.
As unsupervised methods, they have the advantage that they can reveal patterns and relationships in the data without the need for user guidance (or user bias!).
This training course is deployed on the CCPBioSim website via our cloud infrastructure, however you can deploy on your own machine with docker.
Pull the container from our repository::
docker pull ghcr.io/ccpbiosim/protein-ml-workshop:latest
In our containers we are using the JupyterHub default port 8888, so you should forward this port when deploying locally::
docker run -p 8888:8888 ghcr.io/ccpbiosim/protein-ml-workshop:latest
Workshop Content Authors:
- Charlie Laughton
Please direct all questions and feedback to Charlie Laughton