- CAUT Computational Chemistry project
 - A joint effort developing computational chemistry courses for the web - 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.
- 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.
- Molecular Monte Carlo Page
- For scientists and engineers using Monte Carlo methods to simulate systems at the molecular level.
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