The Feugmo Group GitHub pages contain a variety of free and open-source tools for theoretical chemistry modeling.
- Tutorial : A set of tutorial for beginner in Machine learning git@github.com:Feugmo/tutorials.git
- Simexec: package to automate lammps or vasp calculations using using aiid git@github.com:Feugmo/simexec.git
- AGRA: Automatic graph representation algorithm for heterogeneous catalysi git@github.com:Feugmo-Group/AGRA.git
- Genheas: genheas (Generate High Entropy Alloys Structures) is a neural evolution structures (NESs) generation methodology combining artificial neural networks (ANNs) and evolutionary algorithms (EAs) to generate High Entropy Alloys (HEAs) git@github.com:CLEANit/genheas.git