nartrith

Pinned Repositories

aenet
Atomic interaction potentials based on artificial neural networks
Language:Fortran116 15 1141
aenet-lammps
Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
Language:Jupyter Notebook9 3 13
aenet-PyTorch
ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
Language:Fortran11 1 13
ml-catalysis
Machine Learning for Catalysis
Language:Jupyter Notebook15 2 011
MLP-beginners-guide
Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
Language:Jupyter Notebook28 2 06
tools-and-data
A collection of tools and databases for atomistic machine learning
46 10 011
xas-tools
Tools related to X-ray absorption spectroscopy (XAS)
Language:Python17 2 04
aenet-lammps
This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural network (ANN) potential parameter file of BCC iron.
Language:Jupyter Notebook17 3 25
dribble
Monte Carlo percolation simulations
Language:Python1 0 01
Lightshow
A one-stop-shop for writing computational spectroscopy input files
Language:Jupyter Notebook1 1 00

nartrith's Repositories

nartrith/dribble
Monte Carlo percolation simulations
Language:Python1 0 01
nartrith/Lightshow
A one-stop-shop for writing computational spectroscopy input files
Language:Jupyter Notebook1 1 00