autoflowresearch/smartpeak-cli repository overview

TL;DR

This container includes the SmartPeakCLI executable, to run :

docker run --rm -ti -v $HOME/data:/sample-data autoflowresearch/smartpeak-cli bash

Where $HOME/data is the path on to the data you wish to perform analysis on and /sample-data is the path to the mounted volume in the container.

Inside the container simply starting running the workflow :

SmartPeakCLI -l /sample-data/GCMS_SIM_Unknowns

Please make sure not to save any important data or results inside the container, --rm destructs the container with all it's assets after exiting.