Chemistry Development Kit

Open Source cheminformatics library.

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What Chemistry Development Kit can do for you

The Chemistry Development Kit is a Java library with cheminformatics functionality. It can read many chemistry file formats (MDL molfile and SD file, XYZ, PDB, etc), line notations (SMILES), produce InChI, calculate molecular descriptors, depict chemical structures as 2D SVG, and a lot more.

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Programming language
  • Java 100%
License
</>Source code
Packages
packages.debian.org
central.sonatype.com

Participating organisations

Maastricht University
NextMove Software
Friedrich Schiller University Jena

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The Chemistry Development Kit in 2024

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