| CREST | |
| Pros | Easy to automatize, works within XTB, and |
| config. files | |
| can be reused | |
| Many possible modifications and generation and | |
| optimization options | |
| The use of metadynamics ensures that the | |
| conformers are physically related and are accessible | |
| within a selected energy barrier | |
| Cons | Difficult to tune the parameters to obtain a |
| reasonable number of conformers | |
| Intermediate learning curve for specific studies |