Erikna00

Pinned Repositories

• crest

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

  Language:Fortran19842

• ash

  ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

  Language:Python5613

• HessFit

  Language:Python42

Erikna00's Repositories