/tools/useful_rdkit_utils
useful_rdkit_utils
PatWalters/useful_rdkit_utils
215 stars36 forksJupyter NotebookAdded February 5, 2026
summary
The 'useful_rdkit_utils' repository provides a collection of useful functions built on the RDKit library, aimed at facilitating various cheminformatics tasks. It includes Jupyter notebooks that demonstrate how to utilize these functions for molecular analysis and manipulation.
description
Some useful RDKit functions
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