georgijsbakradze Goto Github PK

awesome-machine-learning

A curated list of awesome Machine Learning frameworks, libraries and software.

bachelor

band-structure

Simple band structure computation for Bravais-lattice materials in Python.

coarsegrainsites

Library is designed to course grain sites involved in charge transport simulations where needed. Primary motivation for this library is to reduce the number of unnecessary compute cycles.

convlmd

dplyr

dplyr: A grammar of data manipulation

grains

Metallic and ceramic grain analysis made easy.

kanji_train_set_prep

A set of scripts to prepare training sets for NN training

learn-citrination

Training materials

matminer

data mining for Materials Science

mcpm

mcpm: python implementation of the modified Potts model for grain growth developed in Mason, J. K., et al. "Kinetics and anisotropy of the Monte Carlo model of grain growth." Acta Materialia 82 (2015): 155-166.

multiscale-kmc

Kinetic Monte Carlo with multiple time scales and sensitivity analysis

pycalphad

CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

pygaps

A framework for processing adsorption data and isotherm fitting

pymisori

Quaternion method for crystallographic misorientation calculation in python (C++ with cython!)

slicer

A rudimentary STL slicer

spparks-demo

A tutorial on getting started using SPPARKS for microstructural science.

tofet

ToFeT is a kinetic Monte Carlo model that predicts macroscopic electronic properties of molecular films from molecule-molecule quantum interactions

tufte-css

Style your webpage like Edward Tufte’s handouts.

xrd

X-ray diffraction calculations