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Chemistry Development Kit

Open Source cheminformatics library.

820
mentions
5
contributors

Cite this software

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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Keywords
Programming language
  • Java 100%
License
  • LGPL-2.1-or-later
</>Source code

Participating organisations

Maastricht University
NextMove Software
Friedrich Schiller University Jena

Mentions

Contributors

JM
EW
Egon Willighagen
CS
Christoph Steinbeck
Friedrich-Schiller-Universitat Jena