J-Fabila

Jorge Fabila's repositories

How to convert POSCAR (VASP) to xyz and viceversa

Language:C++GPL-3.06 1 2

Basin Hopping Algorithm coupled with FHI-aims DFT software for geometry optimization of metal nanoclusters

Language:C++100

Basin Hopping Algorithm coupled with VASP DFT software for geometry optimization of metal nanoclusters

Language:ShellGPL-3.0100

Language:Shell1 10

Language:HTML010

Language:Shell000

Language:Jupyter Notebook000

Flower: A Friendly Federated Learning Framework

Language:PythonApache-2.0000

Simulación de un gas

Language:Python000

This is a C-Bash code to generate initial configurations for the study of adsorption of molecules in metallic clusters

Language:ShellGPL-3.001 3

Language:C++010

Language:Jupyter Notebook000

Language:C++000

Language:Jupyter Notebook000

Language:Jupyter Notebook000

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Language:Jupyter NotebookMIT000

Neural network potentials based on graph neural networks and equivariant transformers

MIT000