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/)
License
GNU Library or Lesser General Public License version 2.0 (LGPLv2)
You Might Also Like
Red Hat Enterprise Linux (RHEL) on Microsoft Azure provides a secure, reliable, and flexible foundation for your cloud infrastructure. Red Hat Enterprise Linux on Microsoft Azure is ideal for enterprises seeking to enhance their cloud environment with seamless integration, consistent performance, and comprehensive support.