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The Chemistry Development Kit

Posted on by Robin Ding Leave a comment 3D Rendering, Bio-Informatics, Chemistry, Medical Science Apps., Software Development

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

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Website http://cdk.github.io/
Tags
License GNU Library or Lesser General Public License version 2.0 (LGPLv2)
Platform BSD Linux Mac Windows
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/)