0.2.9

Added:

• dm.pick_centroids for picking a set of centroid molecules using various algorithm
• dm.assign_to_centroids for clustering molecules based on precomputed centroids.

Changed:

• Make add_hs optional in conformers.generate and removed them when add_hs is True. Explicit hydrogens will be lost.

Fixed:

• Doc string of dm.pick_diverse

Authors:

• Emmanuel Noutahi
• Hadrien Mary