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