Usage

Datamol has been designed to be used with a single import:

import datamol as dm

All datamol functions are available under dm.

Available modules

• dm: top-level module that contains common functions.
• dm.actions: functions to edit molecules.
• dm.conformers: generate and perform computation on conformers.
• dm.data: get some common data (mainly for dev purposes).
• dm.fragment: fragment molecules in a list of fragments.
• dm.reactions: functions to work with reactions.
• dm.scaffold: get representative scaffolds from a list of molecules.
• dm.viz: 2D/3D visualization functions.