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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 3.4k 994

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Showing 10 of 43 repositories

molecular_templates Public

rdkit/molecular_templates’s past year of commit activity

C++ 0 BSD-2-Clause 5 0 0 Updated Mar 25, 2026
UGM_2026 Public
Repository for the 2026 RDKit UGM

rdkit/UGM_2026’s past year of commit activity

3 0 0 0 Updated Mar 25, 2026
rdkit Public
The official sources for the RDKit library

rdkit/rdkit’s past year of commit activity

HTML 3,354 BSD-3-Clause 994 69 30 Updated Mar 25, 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 225 BSD-3-Clause 40 27 17 Updated Mar 20, 2026
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 Mar 16, 2026
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 277 69 18 1 Updated Jan 25, 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-rdkit Public
The RDKit nodes for the KNIME Analytics Platform

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

Java 27 19 24 1 Updated Nov 6, 2025
UGM_2025 Public
2025 RDKit UGM

rdkit/UGM_2025’s past year of commit activity

Jupyter Notebook 30 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

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cheminformatics rdkit

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