Building and running via Docker

docker build -t chemotion-viz:latest .

docker run --rm -v $PWD/:/data --workdir="/data" chemotion-viz:latest R -e 'rmarkdown::render("Scripts/Workflow.Rmd", "html_document")'

Jupiter Notebooks at binder

You can also use predefined Jupiter notebooks on binder to run the Workflow interactively.

Vignette in Rstudio

Notebook'ed vignette