search

ferchault / APDFT

APDFT calculates quantumchemical results for many molecules at once.
https://ferchault.github.io/APDFT/
GNU General Public License v3.0
14 stars 4 forks source link

New folder count-enantio #317

Closed SimonLeonKrug closed 3 years ago

SimonLeonKrug commented 3 years ago

Finding, counting and validating AEs