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SilicoLab

Quickstart

Launch the GUI

Section titled “Launch the GUI”

Run SilicoLab with no arguments to open the graphical interface:

Terminal window
silicolab

From the GUI you can view and edit 3D structures; sketch molecules in 2D; run geometry optimizations, quantum chemistry calculations, and molecular dynamics simulations; and plot the results.

Run a script headless

Section titled “Run a script headless”

Pass a script path to run it from the command line, without the GUI:

Terminal window
silicolab workflow.sls

The same .sls scripts also run interactively in the GUI console, so a workflow you automate on the command line behaves identically inside the app.

Next steps

Section titled “Next steps”

Read Installation if you have not set up SilicoLab yet. Guides and step-by-step tutorials for each feature area are being added to this manual, section by section.