MongoDB aggregation machine

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

Stanford cs231n(Convolutional Neural Networks for Visual Recognition) assignment solutions

C library for finding and handling crystal symmetries

Assets for the Materials Project workshop in Aug 2016

atomate is a powerful software for computational materials science and contains pre-built workflows.

Phonon code

Workflow for Electrolyte Genome Project.

create a virtual environment for running FireWorks within Materials Project

The development repository for the deal.II finite element library

Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for managemen…

A simple, robust and flexible just-in-time job management framework in Python.

The Fireworks Workflow Management Repo.

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

A modern LaTeX Beamer theme

charged defect analysis

Run OKMC kinetic montecarlo code and compute the diffusion coefficient

Go + MaterialsProject

C++ FEM solver for elasticity equations using dealii library

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

spparks, the Kinteic Monte Carlo code from Sandia, with custom modifications

Solvation model for the plane wave DFT code VASP.