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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

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Showing 10 of 43 repositories

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 241 BSD-3-Clause 46 27 13 Updated Jul 22, 2026
rdkit Public
The official sources for the RDKit library

rdkit/rdkit's past year of commit activity

HTML 3,528 BSD-3-Clause 1,030 32 27 Updated Jul 22, 2026
UGM_2026 Public
Repository for the 2026 RDKit UGM

rdkit/UGM_2026's past year of commit activity

11 0 1 0 Updated Jul 18, 2026
molecular_templates Public

rdkit/molecular_templates's past year of commit activity

C++ 2 BSD-2-Clause 5 0 2 Updated Jul 9, 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 292 67 18 1 Updated Jun 3, 2026
knime-python-rdkit Public Forked from marc-lehner/knime-python-extension-template

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

Python 0 Apache-2.0 3 0 1 Updated Mar 16, 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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