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Quantum mechanics programs with frequent use in drug design.
| Name | Developed by | Free for academia | Ref. |
|---|---|---|---|
| Gamess | Iowa State University, USA | Yes | [273] |
| Gaussian | Gaussian Inc. | No | [274] |
| Ghemical | University of Kuopio, Finland | Yes | [275] |
| Jaguar | Schrödinger Inc. | No | |
| MOPAC | Stewart Computational Chemistry | Yes | [276] |
| NWChem | Environmental Molecular Sciences Laboratory | Yes | [277] |
| SPARTAN | Wavefunction, Inc. | No | [278] |
