The following resources can be used to learn the CDK API. The API describes the classes and methods in details, while the other resources show code snippets. The mailing list is also a good resource of answers.
Chemistry Toolkit Rosetta Wiki - Code examples
You can download the latest release JAR with all dependencies included from GitHub.
The easiest way to integrate the CDK with a project and keep up to date with the latest features is by using the Maven build system. The CDK modules and their dependencies are automatically fetched from the central repository during compilation of your code.
<dependency> <groupId>org.openscience.cdk</groupId> <artifactId>cdk-bundle</artifactId> <version>2.3</version> </dependency>
To include the all library modules in your project add cdk-bundle to your pom.xml. Once familiar with the library it's good practise to only include the modules your project needs (e.g. cdk-smiles).
We welcome contributions and feedback however big or small.
There are plenty of ways to stay updated with CDK project. You can follow us on GitHub or Twitter.
If you find an issue when using the CDK or would like to request a new feature please report this via GitHub
CDK is built with Maven, you'll need to download and install the Maven Build Tool, mvn. Once Maven is installed, the whole project can be compiled, tested, and installed with the command mvn install.
$> mvn install
If you just want to use the very latest version, pre-release builds are available as from the OSSRH snapshot repository.
The CDK functionality underpins many exciting open and commercial projects.
Here are some of our favourites
Easy to use programs that solve a particular task
GNU Lesser General Public License, version 2.1 (or later).
The LGPL is compatible with other major open-source licenses. Since Java libraries are dynamically linked there is no restriction in using CDK in proprietary software (see the FSF's LGPL and Java). Keep in mind that libraries that parts of the CDK depend on have their own licenses.