The Chemistry Development Kit 1.5.8

An Open Source project that provides Java classes for chemo- and bioinformatics.
The Chemistry Development Kit
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The Chemistry Development Kit (also known as CDK) is a platform-independent, freely distributed and open source library software implemented in Java and designed especially for structural bioinformatics, cheminformatics and computational chemistry.

The project comprises of various useful algorithms and data structures tailored specifically for programmers who want to save a lot of time and effort by reusing code. The Chemistry Development Kit is not designed to be used by end-users.

Features at a glance

Key features include support for reading and writing chemical data formats, support for rendering chemical structures, support for QSAR (Quantitative Structure–activity Relationship) descriptors, as well as built-in algorithms for supporting the chemical graph theory.

For your convenience, the application is distributed as pre-built binaries in the JAR file format. To use it in your project, simply download the latest stable version from Softpedia using the link above, where you can also find the program’s source tarball.

Programmers will find detailed information about how to compile the program from sources, how to run various tests, as well as how to use it in other programs in the README.txt file that is located inside the tar.gz archive.

Under the hood and supported OSes

Taking a look under the hood of the CDK (Chemistry Development Kit) software, we can mention that it has been written entirely in the Java programming language.

Currently, it is fully compatible with 32-bit and 64-bit flavors of the GNU/Linux, Microsoft Windows and Mac OS X operating systems. However, it should work on any OS supported by the Java Runtime Environment (JRE) and Java Development Kit (JDK) technologies.

Reviewed by , last updated on December 8th, 2014

license type:
LGPL v2 (GNU Lesser General Public Lic... 
developed by:
The CDK Project
ROOT \ Science and Engineering \ Chemistry
The Chemistry Development Kit
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What's New in version 1.2.3
  • The formal charge of the IAtomcontainer is transfered to IMolecularFormula
  • Fixed bug 2787332 The old bond array in the gasteiger charge calculation was set to
  • Updated to fix bug 2788357 SMARTSQueryTool now catches TokenMgrError in the construc
  • Added new taglet to process cdk.githash tag and link Javadocs to sources in Git repo
read full changelog
3 Screenshots
The Chemistry Development KitThe Chemistry Development Kit

Application description

The Chemistry Development Kit is an open source, cross-platform and free graphical software written in Java and design...

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