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

Project Activity

See All Activity >

License

GNU Library or Lesser General Public License version 2.0 (LGPLv2)

Follow The Chemistry Development Kit

The Chemistry Development Kit Web Site

Other Useful Business Software
Find Hidden Risks in Windows Task Scheduler Icon
Find Hidden Risks in Windows Task Scheduler

Free diagnostic script reveals configuration issues, error patterns, and security risks. Instant HTML report.

Windows Task Scheduler might be hiding critical failures. Download the free JAMS diagnostic tool to uncover problems before they impact production—get a color-coded risk report with clear remediation steps in minutes.
Download Free Tool

Additional Project Details

Operating Systems

BSD, Linux, Windows

Languages

English

Intended Audience

Developers, Education, Science/Research

User Interface

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

Programming Language

Java

Related Categories

Java Software Development Software, Java 3D Rendering Software, Java Chemistry Software, Java Bio-Informatics Software, Java Medical Software

Registered

2001-02-07