materialsproject Goto Github PK

.github

1password-teams-open-source

Get a free 1Password Teams membership for your open source project

api

New API client for the Materials Project

atomate2

atomate2 is a library of computational materials science workflows

binder

A ready-to-use environment for trying the Materials Project software stack based on the Binder (https://mybinder.org) service.

build-a-battery

interactive battery demo built on meteor

crystaltoolkit

Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.

crystaltoolkit-extension

custodian

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

dash-mp-components

Plotly Dash components developed by the Materials Project

discourse-mpid-resolver

docs

Materials Project Documentation

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

fireworks

The Fireworks Workflow Management Repo.

foundation

gbml

Gradient Boosting Machine-Locfit: A GBM framework using local regresssion via Locfit.

jobflow

jobflow is a library for writing computational workflows.

maggma

MongoDB aggregation machine

mapidoc

Public repo for Materials API documentation

matbench

Matbench: Benchmarks for materials science property prediction

mongogrant

grant username and password credentials for roles on mongo databases via email verification

mp-jupyter-docker

Docker build for Materials Project Jupyter container

mp-jupyterhub

Jupyterhub for spinning up materials project notebook environments

mp-react-components

A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.

mpcite

Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project

mpcontribs

Platform for materials scientists to contribute and disseminate their materials data through Materials Project

mpcontribsusers

Contributor Modules to enable their data submissions via MPContribs

mpenv

create a virtual environment for running FireWorks within Materials Project

mpmorph

MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.

mpsentries

code, logs and documentation for MP's workflow and builder sentries