Chemistry Development Kit

The Chemistry Development Kit (CDK) is a collection of modular Java libraries for processing chemical information (Cheminformatics). The modules are free and open-source and are easy to integrate with...
Language(s): Java
Operating system(s): Windows, Linux, Unix, Mac OS
License: GNU Lesser General Public License 2.0

JOELib

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to...
Language(s): Java
Operating system(s): Windows, Unix, Linux, Mac OS
License: General Public License 2.0

Open Babel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular mo...
Language(s): C++
Operating system(s): Windows, Mac OS, Linux, Android
License: General Public License 2.0