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RDKit

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https://www.rdkit.org

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rdkit rdkit Public

The official sources for the RDKit library

HTML 3.3k 972

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Showing 10 of 42 repositories

mmpdb Public
A package to identify matched molecular pairs and use them to predict property changes.

rdkit/mmpdb’s past year of commit activity

Python 270 68 18 1 Updated Jan 25, 2026
rdkit Public
The official sources for the RDKit library

rdkit/rdkit’s past year of commit activity

HTML 3,260 BSD-3-Clause 972 97 30 Updated Jan 24, 2026
rdkit-js Public
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

rdkit/rdkit-js’s past year of commit activity

Dockerfile 217 BSD-3-Clause 40 27 24 Updated Jan 22, 2026
django-rdkit Public

rdkit/django-rdkit’s past year of commit activity

Python 55 BSD-3-Clause 29 8 1 Updated Dec 12, 2025
knime-python-rdkit Public Forked from knime/knime-python-extension-template

rdkit/knime-python-rdkit’s past year of commit activity

Python 0 Apache-2.0 3 0 0 Updated Dec 5, 2025
molecular_templates Public

rdkit/molecular_templates’s past year of commit activity

C++ 0 BSD-2-Clause 5 0 0 Updated Nov 27, 2025
knime-rdkit Public
The RDKit nodes for the KNIME Analytics Platform

rdkit/knime-rdkit’s past year of commit activity

Java 27 17 24 1 Updated Nov 6, 2025
UGM_2025 Public
2025 RDKit UGM

rdkit/UGM_2025’s past year of commit activity

Jupyter Notebook 29 2 0 0 Updated Oct 27, 2025
knime-lwreg Public
KNIME nodes for working with lwreg

rdkit/knime-lwreg’s past year of commit activity

Python 4 MIT 6 0 0 Updated Oct 24, 2025
shape-it Public
Updated version of Silicos-it's shape-based alignment tool

rdkit/shape-it’s past year of commit activity

C++ 47 MIT 13 4 0 Updated Sep 27, 2025

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cheminformatics rdkit

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