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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

Binder

Notebook'ed vignette

Binder

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