The screenlamp toolkit is designed in a modular way to provide the building blocks for constructing efficient and flexible virtual screening pipelines. The user documentation consists of three parts:

  1. Tools: An overview of the different tools within screenlamp and a summary of their usage commands.
  2. Toolkit Tutorial: An example showing how to combine the different tools summarized in the Toolkit API to perform a typical virtual screening run.
  3. Pipeline Tutorial: A preconstructed, automated virtual pipeline based on the tools listed in the Toolkit API and the virtual screening run explained in the Toolkit Tutorial.

If you are new to screenlamp and would like to get a top-down perspective of what you can do with this toolkit, I recommend starting with the Pipeline Tutorial, which presents you with an automated virtual screening run on a small example dataset. To construct your own virtual screening pipelines and see how the different modules within screenlamp can be used in tandem, please read the Toolkit Tutorial. While reading through the tutorials, the Tools page can be used as a reference for more detailed descriptions of the tools that are available within screenlamp.