/tools/iqb-2025
iqb-2025
MolSSI-Education/iqb-2025
90 stars29 forksJupyter NotebookAdded February 8, 2026
summary
This repository provides Jupyter notebooks for a workshop on Python for Cheminformatics-Driven Molecular Docking. It includes practical exercises on digital representations of molecules, exploring chemical data, and preparing structures for docking, making it a useful resource for those interested in molecular docking techniques.
description
This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaboration with the RCSB Protein Data Bank.
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