RDKit

rdkit

The official sources for the RDKit library

rdkit-tutorials

Tutorials to learn how to work with the RDKit

mmpdb

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

rdkit-js

A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

django-rdkit

UGM_2020

Materials from the (virtual) 2020 RDKit UGM

conda-rdkit

Conda build recipe for the rdkit

homebrew-rdkit

Homebrew formula for rdkit

UGM_2022

Materials from the 2022 UGM

shape-it

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

UGM_2021

Materials from the (virtual) 2021 RDKit UGM

RDKitjs-legacy

Obsolete codebase, please do not use.

UGM_2023

Materials from the 2023 RDKit UGM

CheTo

CheTo - Chemical Topic Modeling

benchmarking_platform

neo4j-rdkit

PREFER

UGM_2025

2025 RDKit UGM

UGM_2024

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

knime-rdkit

The RDKit nodes for the KNIME Analytics Platform

AutomatedSeriesClassification

rdkit-structure-renderer

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

mongo-rdkit

GSoC 2020 project to integrate the RDKit and MongoDb

laplaciannb

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_containers

Containers for building and working with the RDKit

knime-lwreg

KNIME nodes for working with lwreg

rdkit-build-helpers

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

molecular_templates

ava-formake

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

UGM_NA2025