Materials Project (@materialsproject)
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materialsproject

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Top repositories

1

pymatgen

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 Project.
Python
1,359
star
2

fireworks

The Fireworks Workflow Management Repo.
Python
322
star
3

atomate2

atomate2 is a library of computational materials science workflows
Python
160
star
4

crystaltoolkit

Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
Python
150
star
5

mapidoc

Public repo for Materials API documentation
Jupyter Notebook
140
star
6

custodian

A simple, robust and flexible just-in-time job management framework in Python.
Python
127
star
7

workshop

The Materials Project Workshop Curriculum
Jupyter Notebook
111
star
8

api

New API client for the Materials Project
Python
102
star
9

matbench

Matbench: Benchmarks for materials science property prediction
Python
95
star
10

reaction-network

Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (formerly at Berkeley Lab).
Python
86
star
11

jobflow

jobflow is a library for writing computational workflows.
Python
83
star
12

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.
Python
63
star
13

emmet

Be a master builder of databases of material properties. Avoid the Kragle.
Python
52
star
14

pymatgen-db

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 management of materials data.
Python
48
star
15

maggma

MongoDB aggregation machine
Python
38
star
16

MPContribs

Platform for materials scientists to contribute and disseminate their materials data through Materials Project
Jupyter Notebook
34
star
17

pyrho

Python
33
star
18

pymatgen-analysis-defects

Defect analysis modules for pymatgen
Python
28
star
19

MPWorks

merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
Python
24
star
20

dash-mp-components

Plotly Dash components developed by the Materials Project
Python
22
star
21

workshop-2017

Assets for the 2017 Materials Project workshop
Jupyter Notebook
18
star
22

foundation

Ruby
17
star
23

mp-react-components

A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.
TypeScript
17
star
24

docs

Materials Project Documentation
14
star
25

pymatgen-analysis-alloys

pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing data relevant to these systems.
Python
12
star
26

workshop-2016

Assets for the Materials Project workshop in Aug 2016
HTML
12
star
27

rubicon

Workflow for Electrolyte Genome Project.
Python
8
star
28

pymatgen-io-validation

Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.
Python
8
star
29

mongogrant

grant username and password credentials for roles on mongo databases via email verification
Python
7
star
30

webtzite

A prototypal structure for serving materials data
Python
6
star
31

public-docs

The latest documentation for the Materials Project.
6
star
32

gbml

Gradient Boosting Machine-Locfit: A GBM framework using local regresssion via Locfit.
C
6
star
33

pymatgen-addon-template

A template for writing add-on namespace packages for pymatgen
Python
5
star
34

build-a-battery

interactive battery demo built on meteor
CSS
4
star
35

.github

3
star
36

MPCite

Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project
Jupyter Notebook
3
star
37

MPContribsUsers

Contributor Modules to enable their data submissions via MPContribs
Python
2
star
38

mp-jupyter-docker

Docker build for Materials Project Jupyter container
Dockerfile
2
star
39

binder

A ready-to-use environment for trying the Materials Project software stack based on the Binder (https://mybinder.org) service.
Jupyter Notebook
2
star
40

mp-jupyterhub

Jupyterhub for spinning up materials project notebook environments
Python
2
star
41

MPenv

create a virtual environment for running FireWorks within Materials Project
Python
2
star
42

www-issues

Public issue tracker for www.materialsproject.org
1
star
43

mp_docker

docker image for materials_django
Dockerfile
1
star
44

status

Status page for Materials Project website and services
1
star