The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.

The main home page of the CDK is now at: http://cdk.github.io

Features

  • Read and write chemical data formats
  • Render chemical structures
  • Algorithms for chemical graph theory
  • QSAR descriptors
  • Parts optimized with the YourKit Java Profiler (https://www.yourkit.com/)

Project Samples

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Additional Project Details

Languages

English

Intended Audience

Science/Research, Education, Developers

User Interface

X Window System (X11), Win32 (MS Windows), Web-based

Programming Language

Java

Registered

2001-02-07