/tools/pharmacophore-toolkit

pharmacophore-toolkit

tlint101/pharmacophore-toolkit

42 stars6 forksJupyter NotebookWebsiteAdded February 5, 2026
summary

The Pharmacophore-Toolkit allows users to generate simple pharmacophore models using RDKit, which can be derived from crystal structures, docking poses, or SMILES strings. It provides functionalities for visualizing these models in both 2D and 3D formats, aiding in the understanding of molecular interactions.

description

Generate Simple Pharmacophore Models with RDKit

topics

cheminformaticspharmacophore

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