Your molecule working set (MWS) is an in-memory list of small molecules that is the subject of your calculations and manipulations.

The MWS makes it easy to gather candidate molecules from various sources, either by adding them individually, by loading them in batch from a dataframe, CSV or SDF file, or by bookmarking molecules in the GUI. You can then calculate certain properties, perform triage and then store the results in your workspace as a molecule set, ready for further processing within OpenAD or elsewhere.

Please note that at this time the MWS does not support macromolecules, only small molecules.