Computational Chemistry Toolkit


The Computational Chemistry Toolkit (CCT) is a library of algorithms for structural Computational Chemistry implemented in the Java programming language (so, it is a cross-platform). The CCT classes can be integrated into other Java applications. The CCT includes also implementations for the end-user which can be run either as the applets in a web browser (and so they can be integrated in the user web pages) or as standalone Java applications that run on the desktop.

The CCT is in constant development to improve the existing code and to add new functionality.

The CCT is triple licensed; you may distribute it under an Apache2 style license or the GPL and LGPL. You may select whichever license suits your needs.

CCT Features

Standalone Applications


The CCT API and Programming

Send all questions, suggestions and comments to Vlad (

Dr. Vladislav Vasilyev

Supercomputer Facility,

The Australian National University,

Canberra, ACT, 0200, Australia

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