An interactive browser-based app for SMARTS, a cheminformatics query language, for real-time molecule search and reactions
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Jul 2, 2026 - JavaScript
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rdkit-tutorials
Here are 10 public repositories matching this topic...
Streamlit multipage app on rdKit Cheatsheet
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Jun 26, 2022 - Python
SynGlue: Generative AI-powered Polypharmacology Toolkit for Decoding and Designing PROTACs
python bioinformatics cheminformatics chemical trie target generative-model drug-discovery rdkit transformer-architecture trie-data-structure generative-modeling transformers-models rdkit-tutorials protacs ai-in-drug-design fragment-based-design
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Aug 25, 2026 - Jupyter Notebook
Content for the RDKit tutorial of the MEDC0080 module for MSc Drug Design students. © UCL Division of Medicine, 2025.
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Aug 5, 2025 - HTML
Notebooks and such for the Module Python, Machine Learning and AI for Chemistry
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Apr 10, 2026 - Jupyter Notebook
Minimal working example for using RDKit in Java
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Dec 14, 2025 - Java
Rdkit-descriptors appliccable for bioinformatics analyses
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Feb 13, 2026 - Python
**Search-by-SMILES** uses **RDKit** and **Pandas** to search and highlight molecular substructures in an Excel dataset, visualizing results in a grid and saving them as an image.
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Nov 23, 2024
Search by SMILES of interest and highlight Scaffolds (Rs)
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Nov 23, 2024
Minimal working example for using RDKit in Kotlin
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Dec 14, 2025 - Kotlin
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