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
Our Free Plans just got better! | Auth0 by Okta
You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your secuirty. Auth0 now, thank yourself later.