crest-lab/crest

CREST - A program for the automated exploration of low-energy molecular chemical space.

★ 337 Stars

⑂ 67 Forks

○ 337 Watchers

✖ 46 Issues

Fortran

atomistic-simulations computational-chemistry conformational-analysis metadynamics tight-binding

Last push: 1mo ago

Created:

Loading additional information…