Computational Chemistry - Chemistry

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Computational Chemistry List (CCL) - an independent electronic discussion forum which allows researchers from around the world to exchange information and experiences.
GAMESS - free package which includes both semi-empirical and ab initio methods. Graphics codes are also available.
CAUT Computational Chemistry project - A joint effort developing computational chemistry courses for the web
Ligand-Protein Docking - Summarizes the latest work on docking of small molecules and drugs to biomacromolecules. Describes AutoDock, C-software freely available to the academic and educational communities.
TheRate: THEoretical RATEs - software project which implements a GUI written in Java with an underlying scientific code to calculate thermal rate constants from first principles.
Molecular Monte Carlo Page - for scientists and engineers using Monte Carlo methods to simulate systems at the molecular level.

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