/tools/rdkit_tutorials

rdkit_tutorials

suneelbvs/rdkit_tutorials

37 stars6 forksJupyter NotebookAdded February 4, 2026
summary

The RDKit Tutorials repository offers a collection of Jupyter notebooks that guide users through various cheminformatics tasks using RDKit. It covers fundamental and advanced topics such as property calculations, QSAR modeling, and molecular structure manipulation, making it a valuable resource for those interested in molecular design and analysis.

description

rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)

topics

jupyter-notebookrdkitrdkit-chempythoncheminformaticsdrug-design

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