This script joins molecules together based on how well C-H bonds are aligned. The input can be structures in which the molecules …

This script will break up a set of input molecules into fragments based on some simple rules, similar to those described in the o…

Generates the Murcko scaffold for an input RDKit Mol column and appends it to the table.

Splits up disconnected fragment molecules contained in a single RDKit molecule cell and extracts these molecules into separate ce…

Fragments a set of RDKit molecules into subgraphs