Repositories list

• rdkit

  Public

  rdkit/rdkit’s past year of commit activity
  The official sources for the RDKit library

  pythonc-plus-pluscheminformatics+ 1

  pythonc-plus-pluscheminformaticsrdkit

  HTML

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  BSD 3-Clause "New" or "Revised" License

  •1.1k1.1k forks•3.6k3.6k stars•5151 issues•6161 pull requests•Updated Oct 13, 2026Oct 13, 2026

• molecular_templates

  Public

  rdkit/molecular_templates’s past year of commit activity
  C++

  •

  BSD 2-Clause "Simplified" License

  •66 forks•22 stars•00 issues•11 pull request•Updated Oct 1, 2026Oct 1, 2026

• rdkit-js

  Public

  rdkit/rdkit-js’s past year of commit activity
  A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

  reactjavascriptnpm+ 8

  reactjavascriptnpmcheminformaticsmoleculewasmdrug-discoverynode-jsrdkitmolecule-visualization+ 1

  SCSS

  •4747 forks•251251 stars•2727 issues•00 pull requests•Updated Sep 19, 2026Sep 19, 2026

• UGM_2026

  Public

  rdkit/UGM_2026’s past year of commit activity
  Repository for the 2026 RDKit UGM

  00 forks•2323 stars•11 issue•00 pull requests•Updated Sep 11, 2026Sep 11, 2026

• UGM_2025

  Public

  rdkit/UGM_2025’s past year of commit activity
  2025 RDKit UGM

  Jupyter Notebook

  •22 forks•3030 stars•00 issues•00 pull requests•Updated Sep 10, 2026Sep 10, 2026

• knime-python-rdkit

  Public

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

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  Apache License 2.0

  •33 forks•00 stars•00 issues•22 pull requests•Updated Sep 7, 2026Sep 7, 2026

• mmpdb

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

  Python

  •

  Other

  •6868 forks•303303 stars•1818 issues•33 pull requests•Updated Jun 3, 2026Jun 3, 2026

• django-rdkit

  Public
  Python

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  BSD 3-Clause "New" or "Revised" License

  •2929 forks•5555 stars•88 issues•11 pull request•Updated Dec 12, 2025Dec 12, 2025

• knime-rdkit

  Public
  The RDKit nodes for the KNIME Analytics Platform

  Java

  •1919 forks•2727 stars•2424 issues•11 pull request•Updated Nov 6, 2025Nov 6, 2025

• knime-lwreg

  Public
  KNIME nodes for working with lwreg

  Python

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  MIT License

  •66 forks•44 stars•00 issues•00 pull requests•Updated Oct 24, 2025Oct 24, 2025

• shape-it

  Public
  Updated version of Silicos-it's shape-based alignment tool

  C++

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  MIT License

  •1313 forks•4949 stars•44 issues•00 pull requests•Updated Sep 27, 2025Sep 27, 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 implementatio…

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•1515 stars•00 issues•00 pull requests•Updated Aug 28, 2025Aug 28, 2025

• UGM_NA2025

  Public
  22 forks•00 stars•00 issues•00 pull requests•Updated May 5, 2025May 5, 2025

• UGM_2024

  Public
  13th RDKit UGM. 11-13 September in Zurich, Switzerland

  Jupyter Notebook

  •1313 forks•2828 stars•00 issues•00 pull requests•Updated Nov 28, 2024Nov 28, 2024

• rdkit-build-helpers

  Public
  Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples

  C#

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  BSD 3-Clause "New" or "Revised" License

  •44 forks•22 stars•11 issue•11 pull request•Updated Nov 19, 2024Nov 19, 2024

• rdkit-structure-renderer

  Public
  JavaScript package for interactive rendering of 2D chemical structures in the browser.

  HTML

  •

  Other

  •22 forks•2121 stars•22 issues•00 pull requests•Updated Nov 13, 2024Nov 13, 2024

• mongo-rdkit

  Public
  GSoC 2020 project to integrate the RDKit and MongoDb

  Python

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  BSD 2-Clause "Simplified" License

  •77 forks•1616 stars•00 issues•11 pull request•Updated Apr 8, 2024Apr 8, 2024

• UGM_2023

  Public
  Materials from the 2023 RDKit UGM

  Jupyter Notebook

  •1515 forks•3434 stars•00 issues•00 pull requests•Updated Jan 16, 2024Jan 16, 2024

• ava-formake

  Public
  Fork of the upstream repo https://github.com/rohdebe1/ava-formake.git

  C

  •

  Other

  •11 fork•00 stars•00 issues•00 pull requests•Updated Nov 15, 2023Nov 15, 2023

• PREFER

  Public
  Python

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  BSD 3-Clause "New" or "Revised" License

  •44 forks•2929 stars•22 issues•00 pull requests•Updated Jul 28, 2023Jul 28, 2023

• rdkit-tutorials

  Public
  Tutorials to learn how to work with the RDKit

  Jupyter Notebook

  •

  Other

  •7979 forks•315315 stars•44 issues•22 pull requests•Updated Mar 19, 2023Mar 19, 2023

• neo4j-rdkit

  Public
  Java

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  BSD 2-Clause "Simplified" License

  •66 forks•2828 stars•33 issues•11 pull request•Updated Mar 9, 2023Mar 9, 2023

• RDKitjs-legacy

  Public
  Obsolete codebase, please do not use.

  HTML

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  BSD 3-Clause "New" or "Revised" License

  •1313 forks•3535 stars•55 issues•33 pull requests•Updated Jan 3, 2023Jan 3, 2023

• benchmarking_platform

  Public
  Python

  •2121 forks•3030 stars•33 issues•11 pull request•Updated Dec 19, 2022Dec 19, 2022

• UGM_2022

  Public
  Materials from the 2022 UGM

  Jupyter Notebook

  •1414 forks•4646 stars•00 issues•00 pull requests•Updated Oct 31, 2022Oct 31, 2022

• homebrew-rdkit

  Public
  Homebrew formula for rdkit

  Ruby

  •1818 forks•4848 stars•33 issues•22 pull requests•Updated Jun 22, 2022Jun 22, 2022

• conda-rdkit

  Public
  Conda build recipe for the rdkit

  C

  •2828 forks•5050 stars•2121 issues•00 pull requests•Updated Jan 11, 2022Jan 11, 2022

• UGM_2021

  Public
  Materials from the (virtual) 2021 RDKit UGM

  Jupyter Notebook

  •1717 forks•3838 stars•00 issues•00 pull requests•Updated Oct 22, 2021Oct 22, 2021

• rdkit_containers

  Public
  Containers for building and working with the RDKit

  Dockerfile

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  Apache License 2.0

  •44 forks•88 stars•11 issue•00 pull requests•Updated Jul 15, 2021Jul 15, 2021

• AutomatedSeriesClassification

  Public
  Jupyter Notebook

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  MIT License

  •88 forks•2424 stars•22 issues•00 pull requests•Updated Jun 23, 2021Jun 23, 2021