As a library, Dedenser is comprised of the main Dedenser class and utility functions for generating, visualizing and saving the indexes of chemical point clouds. Technical aspects and formulation of Dedenser and the chemical point cloud utilities are explained in detail within the Dedenser documentation at . We would hope that others in the field would feel encouraged to incorporate their desired variations to chemical point cloud representations or modify the downsampling algorithm of Dedenser as they see fit, and that this may be assisted through documentation of the codebase. Additionally, a general workflow and implementation details are expressed in the supporting information. Regarding HDBSCAN, only epsilon and minimum cluster size are parameterized.