The Feugmo Group GitHub pages contain a variety of free and open-source tools for theoretical chemistry modeling.
- Tutorial: A set of tutorials for beginner in Machine learning : https://github.com/Feugmo-Group/Tutorials
- TorchDisorder : Differentiable Amorphous Structure Generation from Scattering Data : https://github.com/Feugmo-Group/torchdisorder
- PINN4ElectrochemicalSystems : introduction of PINN for electrochemistry https://github.com/Feugmo-Group/PINN4ElectrochemicalSystems https://github.com/Feugmo-Group/PINN4ElectrochemicalSystems
- PFC-Density: Our phase field crystal implementation based on the density-based representation of free energy https://github.com/Feugmo-Group/PFC-density
- PINNACLE: Physics-Informed Neural Networks Analyzing Corrosion Layers in Electrochemistry https://github.com/Feugmo-Group/PINNACLE
- AGRA: Automatic graph representation algorithm for heterogeneous catalysis git@github.com:Feugmo-Group/AGRA.git