kcantosh's repositories
ChernNubmer
Using different methods to calculate Chern number for Haldane model with disorder
deep-photo-styletransfer
Code and data for paper "Deep Photo Style Transfer": https://arxiv.org/abs/1703.07511
TensorFlow-Tutorials
Simple tutorials using Google's TensorFlow Framework
pycroscopy
Utilities for scientific analysis of nanoscale imaging modalities such as scanning probe microscopy, scanning tunneling spectroscopy, x-ray diffraction microscopy, and transmission electron microscopy
supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
moose
Multiphysics Object Oriented Simulation Environment
BerryPI
Software to study polarization of crystalline solids with density functional all-electron package
wannier_tools
WannierTools: An open-source software package for novel topological materials
fold2Bloch-Wien2k
Unfolding of first-principle electronic band structure
ramanpy
Raman tensor calculation using finite displacement method
lectures
Oxford Deep NLP 2017 course
mctools
Quick tools for materials chemistry
ml_cheat_sheet
My notes and superstitions about common machine learning algorithms
Self-Consistent-Quasiharmonic-Approximation-Method
An efficient ab-initio quasiharmonic method for thermodynamic properties of solids
Data-Analysis-and-Machine-Learning-Projects
Repository of teaching materials, code, and data for my data analysis and machine learning projects.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
scikit-learn
scikit-learn: machine learning in Python
vampire
Atomistic simulator for magnetic materials
MAST
MAterials Simulation Toolkit for use with pymatgen
ising
OO MATLAB library for simulating the Ising Model.
python-machine-learning-book
The "Python Machine Learning" book code repository and info resource
mainline
The mainline development distribution for QWalk
workshop-2016
Assets for the Materials Project workshop in Aug 2016
alamode
Ab initio simulator for thermal transport and lattice anharmonicity
CheMPS2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
QuickFF
A Python code to quickly derive ab initio parameterized force fields.
horton
HORTON: Helpful Open-source Research TOol for N-fermion systems
QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
SetupKpoints
Uses the SeeKpath program and the ASE package to generate standardised sets of special points and paths between them for any given crystal structure.