Repositories list

• cdk

  Public
  The Chemistry Development Kit

  javabioinformaticschemistry+ 3

  javabioinformaticschemistrycheminformaticscode4libblueobelisk

  Java

  •

  GNU Lesser General Public License v2.1

  •179179 forks•605605 stars•66 issues•44 pull requests•Updated Sep 2, 2026Sep 2, 2026

• cdk-outputs

  Public
  Python

  •

  MIT License

  •33 forks•00 stars•00 issues•00 pull requests•Updated Sep 1, 2026Sep 1, 2026

• cdk-iordf

  Public
  CDK iordf module

  Java

  •

  GNU Lesser General Public License v2.1

  •00 forks•22 stars•11 issue•00 pull requests•Updated Aug 22, 2026Aug 22, 2026

• cdk-scaffold

  Public
  Chemistry Development Kit module for scaffold functionalities

  Java

  •

  GNU Lesser General Public License v2.1

  •11 fork•33 stars•00 issues•00 pull requests•Updated Aug 18, 2026Aug 18, 2026

• depict

  Public
  SMILES Depiction Generator

  Java

  •

  GNU Lesser General Public License v2.1

  •2525 forks•7171 stars•55 issues•00 pull requests•Updated Aug 5, 2026Aug 5, 2026

• cdk.github.io

  Public
  CDK Landing Page

  HTML

  •1515 forks•88 stars•00 issues•00 pull requests•Updated May 12, 2026May 12, 2026

• chemojava

  Public
  Automatically exported from code.google.com/p/chemojava

  Java

  •

  GNU General Public License v3.0

  •11 fork•11 star•11 issue•11 pull request•Updated Apr 3, 2026Apr 3, 2026

• cdkbook

  Public
  Groovy Cheminformatics with the Chemistry Development Kit

  javagroovychemistry+ 2

  javagroovychemistrycheminformaticschemistry-development-kit

  Groovy

  •

  Creative Commons Attribution Share Alike 4.0 International

  •1515 forks•4747 stars•88 issues•00 pull requests•Updated Dec 8, 2025Dec 8, 2025

• nwo-openscience-2024

  Public
  Repository to track the progress of the NWO Open Science Grant accepted for the CDK in 2023.

  00 forks•11 star•1111 issues•00 pull requests•Updated Aug 31, 2025Aug 31, 2025

• PaDEL-Descriptor

  Public
  Java

  •

  Other

  •22 forks•22 stars•33 issues•11 pull request•Updated Oct 4, 2024Oct 4, 2024

• chempyformatics

  Public
  pythoncheminformaticschemoinformatics+ 1

  pythoncheminformaticschemoinformaticscdk

  Groovy

  •11 fork•11 star•11 issue•00 pull requests•Updated Jul 14, 2024Jul 14, 2024

• smartcyp

  Public
  a method/tool to predict the sites of metabolism of drug-like molecules

  javacheminformatics

  javacheminformatics

  Java

  •

  GNU Lesser General Public License v3.0

  •11 fork•66 stars•00 issues•00 pull requests•Updated Apr 6, 2024Apr 6, 2024

• cdk-paper-2

  Public
  The green Open Access version of the second CDK paper.

  javarstatistics+ 2

  javarstatisticscheminformaticscdk

  00 forks•00 stars•00 issues•00 pull requests•Updated Aug 15, 2023Aug 15, 2023

• nodes4knime

  Public
  KNIMES nodes using the CDK 1.5 library.

  workflowchemistryknime

  workflowchemistryknime

  Java

  •1010 forks•33 stars•66 issues•00 pull requests•Updated Apr 27, 2023Apr 27, 2023

• cdk-build-util

  Public
  Collection of auxiliary developer utilities used by the Chemistry Development Kit.

  Java

  •

  GNU Lesser General Public License v2.1

  •66 forks•11 star•22 issues•00 pull requests•Updated Dec 2, 2022Dec 2, 2022

• nodes4knime-cdk2

  Public
  KNIMES nodes using the CDK library.

  Java

  •22 forks•11 star•66 issues•11 pull request•Updated Aug 24, 2022Aug 24, 2022

• cdk20

  Public
  Repository to coordinate the 20th birthday event in 2020.

  00 forks•11 star•00 issues•00 pull requests•Updated Apr 5, 2019Apr 5, 2019

• junior-jobs

  Public
  Project solely aimed at simple jobs in CDK coding, suitable for junior programmers.

  00 forks•11 star•11 issue•00 pull requests•Updated Feb 22, 2019Feb 22, 2019

• cdk-paper-3

  Public
  Repository with the Latex source code for the CDK III paper.

  javacheminformaticscdk-paper

  javacheminformaticscdk-paper

  TeX

  •1010 forks•33 stars•00 issues•00 pull requests•Updated May 14, 2017May 14, 2017

• cdkrest

  Public
  CDK REST services

  Java

  •

  GNU General Public License v3.0

  •00 forks•11 star•00 issues•00 pull requests•Updated Sep 1, 2016Sep 1, 2016

• doc

  Public
  Documentation for the CDK

  00 forks•00 stars•00 issues•00 pull requests•Updated Jul 27, 2016Jul 27, 2016

• beam

  Public
  SMILES Toolkit

  Java

  •

  Other

  •88 forks•00 stars•00 issues•00 pull requests•Updated May 28, 2016May 28, 2016

• orchem

  Public
  OrChem, an Oracle chemistry plug-in using the Chemistry Development Kit (CDK).

  Java

  •22 forks•11 star•00 issues•00 pull requests•Updated Nov 2, 2014Nov 2, 2014

• vecmath

  Public
  Public Domain implemenation of the Java Vecmath libraries.

  Java

  •44 forks•00 stars•00 issues•00 pull requests•Updated Aug 31, 2014Aug 31, 2014

• cdk-scala-examples

  Public
  Using the CDK from Scala

  Scala

  •

  GNU Lesser General Public License v2.1

  •00 forks•00 stars•00 issues•00 pull requests•Updated Apr 2, 2014Apr 2, 2014

• cdk-eclipse

  Public
  Java

  •11 fork•22 stars•00 issues•00 pull requests•Updated Nov 1, 2011Nov 1, 2011