[HTML][HTML] CREST—A program for the exploration of low-energy molecular chemical space

P Pracht, S Grimme, C Bannwarth, F Bohle… - The Journal of …, 2024 - pubs.aip.org
Conformer–rotamer sampling tool (CREST) is an open-source program for the efficient and
automated exploration of molecular chemical space. Originally developed in Pracht et …