When to use
This filter can be particularly important when screening large collections and the number of input molecules for some workflow steps is limited. Adding a sampler filter before these “more expensive” tools can make sure you won't exceed your tool limits.
How to use
Simply put a Sampler filter in the workflow where you need to reduce the number of molecules (e.g. before Docking (Vina) and Diversity selection). Multiple sampler filters can be put in a single workflow.
Molecules can be selected randomly using the “Randomized” option. Otherwise the first elements of the input collection will be selected.
Number of molecules specified in the query