Universal cheminformatics toolkit, utilities and database search tools
-
Updated
Dec 17, 2025 - C++
Universal cheminformatics toolkit, utilities and database search tools
Wiswesser Line Notation Project
A lightweight C++ command-line tool to convert SMILES strings to PDB files with conformer generation using RDKit
Finding redundancies and similarities in SMILES datasets
A 3D engine for visualizing molecules of organic compounds using SMILE notation
Add a description, image, and links to the smiles topic page so that developers can more easily learn about it.
To associate your repository with the smiles topic, visit your repo's landing page and select "manage topics."