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Container version of avogadro1 for distros not supporting avogadro1 anymore

Dockerfile 6 3 Updated Apr 13, 2022

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

Fortran 198 42 Updated Sep 27, 2024

General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations

9 1 Updated Dec 22, 2021