Building blocks for scientific data pipelines

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

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

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.