RDKit

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The official sources for the RDKit library

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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 194 BSD-3-Clause 38 26 5 Updated Jul 1, 2025
rdkit Public
The official sources for the RDKit library

rdkit/rdkit’s past year of commit activity

HTML 2,979 BSD-3-Clause 926 110 27 Updated Jun 30, 2025
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 236 66 19 2 Updated May 20, 2025
knime-rdkit Public
The RDKit nodes for the KNIME Analytics Platform

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

Java 25 17 24 1 Updated May 17, 2025
molecular_templates Public

rdkit/molecular_templates’s past year of commit activity

C++ 0 BSD-2-Clause 5 0 0 Updated May 9, 2025
UGM_NA2025 Public

rdkit/UGM_NA2025’s past year of commit activity

0 2 0 0 Updated May 5, 2025
laplaciannb Public
LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

rdkit/laplaciannb’s past year of commit activity

Python 13 BSD-3-Clause 1 3 0 Updated Feb 28, 2025
UGM_2024 Public
13th RDKit UGM. 11-13 September in Zurich, Switzerland

rdkit/UGM_2024’s past year of commit activity

Jupyter Notebook 27 13 0 0 Updated Nov 28, 2024
rdkit-build-helpers Public
Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples

rdkit/rdkit-build-helpers’s past year of commit activity

C# 1 BSD-3-Clause 3 1 0 Updated Nov 19, 2024
rdkit-structure-renderer Public
JavaScript package for interactive rendering of 2D chemical structures in the browser.

rdkit/rdkit-structure-renderer’s past year of commit activity

HTML 19 2 2 0 Updated Nov 13, 2024

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