| CCPNmr | CCPNmr Analysis the best NMR assignment software available |
| Chemical Drawing Software | List of 2D and 3D chemical drawing softwares. |
| Gromacs | Package to perform molecular dynamics analyses. Primarily designed for biochemical macromolecules like proteins, lipids and nucleic acids. Also used for non-biological polymers. |
| Kinetiscope | Easy-to-use, rapid, interactive method for the accurate simulation of chemical reactions. |
| Online Tools | Online calculators and software tools. |
| PerlMol | Perl Modules for molecular chemistry, chemoinformatics and computational chemistry. |
