materialsproject/jobflow

jobflow is a library for writing computational workflows.

Language: Python - Size: 3.09 MB - Last synced: about 15 hours ago - Pushed: about 17 hours ago - Stars: 87 - Forks: 23

materialsproject/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.

Language: Python - Size: 5.91 MB - Last synced: about 17 hours ago - Pushed: about 20 hours ago - Stars: 8 - Forks: 2

materialsproject/MPContribs

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

Language: Jupyter Notebook - Size: 26.3 MB - Last synced: 1 day ago - Pushed: 1 day ago - Stars: 34 - Forks: 22

materialsproject/pymatgen-analysis-defects

Defect analysis modules for pymatgen

Language: Python - Size: 255 MB - Last synced: 1 day ago - Pushed: 1 day ago - Stars: 31 - Forks: 9

materialsproject/fireworks

The Fireworks Workflow Management Repo.

Language: Python - Size: 20.6 MB - Last synced: 4 days ago - Pushed: 18 days ago - Stars: 341 - Forks: 177

materialsproject/emmet

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

Language: Python - Size: 181 MB - Last synced: 1 day ago - Pushed: 1 day ago - Stars: 47 - Forks: 62

materialsproject/foundation

Language: Ruby - Size: 118 KB - Last synced: 8 days ago - Pushed: 8 days ago - Stars: 15 - Forks: 5

materialsproject/crystaltoolkit

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

Language: Python - Size: 36.5 MB - Last synced: 20 days ago - Pushed: 22 days ago - Stars: 130 - Forks: 56

materialsproject/reaction-network

Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).

Language: Python - Size: 69.2 MB - Last synced: 2 days ago - Pushed: 2 months ago - Stars: 76 - Forks: 13

materialsproject/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.

Language: Python - Size: 31.4 MB - Last synced: 11 days ago - Pushed: 15 days ago - Stars: 48 - Forks: 40

materialsproject/api

New API client for the Materials Project

Language: Python - Size: 26.9 MB - Last synced: 6 days ago - Pushed: 15 days ago - Stars: 104 - Forks: 32

materialsproject/custodian

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

Language: Python - Size: 95.3 MB - Last synced: 9 days ago - Pushed: 11 days ago - Stars: 128 - Forks: 102

materialsproject/atomate2

atomate2 is a library of computational materials science workflows

Language: Python - Size: 313 MB - Last synced: 20 days ago - Pushed: 20 days ago - Stars: 124 - Forks: 68

materialsproject/matbench

Matbench: Benchmarks for materials science property prediction

Language: Python - Size: 395 MB - Last synced: 9 days ago - Pushed: about 1 month ago - Stars: 97 - Forks: 40

materialsproject/maggma

MongoDB aggregation machine

Language: Python - Size: 14.9 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 35 - Forks: 30

materialsproject/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.

Language: Python - Size: 970 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 1,364 - Forks: 820

materialsproject/dash-mp-components

Plotly Dash components developed by the Materials Project

Language: Python - Size: 207 MB - Last synced: 5 days ago - Pushed: 2 months ago - Stars: 21 - Forks: 1

materialsproject/pyrho

Language: Python - Size: 47.6 MB - Last synced: 8 days ago - Pushed: 8 days ago - Stars: 34 - Forks: 6

materialsproject/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.

Language: Python - Size: 9.32 MB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 59 - Forks: 29

materialsproject/rubicon

Workflow for Electrolyte Genome Project.

Language: Python - Size: 16.7 MB - Last synced: about 1 month ago - Pushed: about 7 years ago - Stars: 8 - Forks: 5

materialsproject/workshop

The Materials Project Workshop Curriculum

Language: Jupyter Notebook - Size: 443 MB - Last synced: about 1 month ago - Pushed: about 1 year ago - Stars: 108 - Forks: 122

materialsproject/mp-react-components

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

Language: TypeScript - Size: 23.2 MB - Last synced: 24 days ago - Pushed: 2 months ago - Stars: 15 - Forks: 7

materialsproject/mapidoc 📦

Public repo for Materials API documentation

Language: Jupyter Notebook - Size: 2.78 MB - Last synced: about 1 month ago - Pushed: almost 2 years ago - Stars: 140 - Forks: 61

materialsproject/status

Status page for Materials Project website and services

Size: 574 MB - Last synced: about 1 month ago - Pushed: about 1 year ago - Stars: 1 - Forks: 0

materialsproject/gbml

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

Language: C - Size: 2.71 MB - Last synced: 24 days ago - Pushed: about 3 years ago - Stars: 5 - Forks: 5

materialsproject/MPWorks 📦

merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

Language: Python - Size: 12.6 MB - Last synced: about 1 month ago - Pushed: almost 5 years ago - Stars: 24 - Forks: 23

materialsproject/public-docs

The latest documentation for the Materials Project.

Size: 19.1 MB - Last synced: 20 days ago - Pushed: 2 months ago - Stars: 5 - Forks: 9

materialsproject/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.

Language: Python - Size: 166 KB - Last synced: 20 days ago - Pushed: 11 months ago - Stars: 12 - Forks: 4

materialsproject/.github

Size: 22.5 KB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 3 - Forks: 0

materialsproject/pymatgen-addon-template

A template for writing add-on namespace packages for pymatgen

Language: Python - Size: 32.2 KB - Last synced: about 1 month ago - Pushed: about 2 months ago - Stars: 5 - Forks: 0

materialsproject/mongogrant

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

Language: Python - Size: 69.3 KB - Last synced: about 1 month ago - Pushed: 12 months ago - Stars: 7 - Forks: 3

materialsproject/mp_docker

docker image for materials_django

Language: Dockerfile - Size: 91.8 KB - Last synced: about 1 month ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

materialsproject/MPContribsUsers 📦

Contributor Modules to enable their data submissions via MPContribs

Language: Python - Size: 5.98 MB - Last synced: about 1 month ago - Pushed: about 5 years ago - Stars: 2 - Forks: 13

materialsproject/docs 📦

Materials Project Documentation

Size: 9.23 MB - Last synced: about 1 month ago - Pushed: almost 2 years ago - Stars: 14 - Forks: 33

materialsproject/workshop-2017

Assets for the 2017 Materials Project workshop

Language: Jupyter Notebook - Size: 53.8 MB - Last synced: about 1 month ago - Pushed: over 6 years ago - Stars: 18 - Forks: 26

materialsproject/MPenv

create a virtual environment for running FireWorks within Materials Project

Language: Python - Size: 198 KB - Last synced: about 1 month ago - Pushed: over 7 years ago - Stars: 2 - Forks: 13

materialsproject/binder

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

Language: Jupyter Notebook - Size: 5.86 KB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 2 - Forks: 0

materialsproject/1password-teams-open-source Fork of 1Password/for-open-source

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

Size: 1.44 MB - Last synced: about 1 month ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

materialsproject/crystaltoolkit-extension Fork of chabb/simplesceneextension

Language: Jupyter Notebook - Size: 221 KB - Last synced: about 1 month ago - Pushed: about 4 years ago - Stars: 1 - Forks: 0

materialsproject/MPCite

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

Language: Jupyter Notebook - Size: 15.7 MB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 3 - Forks: 1

materialsproject/build-a-battery

interactive battery demo built on meteor

Language: CSS - Size: 4.19 MB - Last synced: about 1 month ago - Pushed: almost 10 years ago - Stars: 4 - Forks: 2

materialsproject/mp-jupyter-docker

Docker build for Materials Project Jupyter container

Language: Dockerfile - Size: 32.9 MB - Last synced: about 1 month ago - Pushed: over 5 years ago - Stars: 2 - Forks: 2

materialsproject/mp-jupyterhub

Jupyterhub for spinning up materials project notebook environments

Language: Python - Size: 8.79 KB - Last synced: about 1 month ago - Pushed: over 7 years ago - Stars: 2 - Forks: 2

materialsproject/www-issues

Public issue tracker for www.materialsproject.org

Size: 285 KB - Last synced: about 1 month ago - Pushed: over 9 years ago - Stars: 1 - Forks: 1

materialsproject/outage_pages

Error pages for outtages

Language: JavaScript - Size: 180 KB - Last synced: about 1 month ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0

materialsproject/propjockey

Spinning property workflows. Taking requests.

Language: Python - Size: 5.48 MB - Last synced: 5 days ago - Pushed: almost 5 years ago - Stars: 0 - Forks: 1

materialsproject/webtzite

A prototypal structure for serving materials data

Language: Python - Size: 3.85 MB - Last synced: about 1 month ago - Pushed: almost 5 years ago - Stars: 6 - Forks: 2

materialsproject/workshop-2016

Assets for the Materials Project workshop in Aug 2016

Language: HTML - Size: 32.4 MB - Last synced: about 1 month ago - Pushed: over 7 years ago - Stars: 12 - Forks: 13

materialsproject/discourse-mpid-resolver

Language: JavaScript - Size: 1000 Bytes - Last synced: about 1 month ago - Pushed: almost 6 years ago - Stars: 0 - Forks: 0

materialsproject/MPSentries

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

Language: Jupyter Notebook - Size: 460 KB - Last synced: about 1 month ago - Pushed: over 6 years ago - Stars: 0 - Forks: 1

materialsproject/nmgc-data

Nanoporous Materials Genome Center (NMGC) data

Size: 0 Bytes - Last synced: about 1 month ago - Pushed: over 9 years ago - Stars: 0 - Forks: 1