The Chemistry Development Kit
Open Hub Project Analysis
|SCM Types:||Subversion GIT|
|Lines Of Code:||809,927|
|Published On:||May 25, 2014 (07:20 PM)|
The Chemistry Development Kit (CDK) is a library of Java classes for chemo-, bioinformatics, computational chemistry, and chemometrics. It provides important algorithms like substructure search, SMILES, Gasteiger charges, QSAR descriptor calculation, 3D structure generation, 2D layout and rendering, many IO formats, atom typing, and more.