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2nn_meamff_for_au-ag

2nd Nearest neighbor Parameterized MEAM potential file for Au-Ag alloy system in LAMMPS-readable format.

active-learning-md

Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"

advanced-deep-learning-with-keras

Advanced Deep Learning with Keras, published by Packt

agpd

SOAP and MTP as Machine-learned Alloy Models Paper

bayesianframework

A framework for Bayesian model selection (BMS) and Bayesian model Averaging (BMA).

fec-elastic-pyiron

file_manipulators

some codes for text file manipulations i need everyday

generative-adversarial-networks-cookbook

generative-adversarial-networks-projects

Generative Adversarial Networks Projects, published by Packt

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design

lammps_vibrational_dos

material_simulation_scripts

Useful scripts for material simulation software & pkgs

mpltex_plot_lammps

a simple script to plot using mpltex

msen655

python-deep-learning-second-edition

Python Deep Learning Second Edition, Published by Packt

twister2lammps_dat_file_generator

A python script to convert output of twister code into a dat file in lammps format.

upho

Band unfolding for phonons