CREST documentation

Conformer-Rotamer Ensemble Sampling Tool

CREST is an application program based on the xTB methods.

The main publication for the CREST program can be found at Phys. Chem. Chem. Phys., 2020, 22, 7169-7192.

The documentation of CREST was moved to https://crest-lab.github.io/crest-docs/