CREST
CREST was developed as a program for conformational sampling at the extended tight-binding level GFN-xTB.
It provides a variety of sampling procedures, for example for improved thermochemistry, or solvation.
Access the CREST GitHub Page.
CREST was developed as a program for conformational sampling at the extended tight-binding level GFN-xTB.
It provides a variety of sampling procedures, for example for improved thermochemistry, or solvation.
Access the CREST GitHub Page.