Pinned Repositories
api
New API client for the Materials Project
atomate2
atomate2 is a library of computational materials science workflows
crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
custodian
A simple, robust and flexible just-in-time job management framework in Python.
fireworks
The Fireworks Workflow Management Repo.
mapidoc
Public repo for Materials API documentation
matbench
Matbench: Benchmarks for materials science property prediction
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.
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).
workshop
The Materials Project Workshop Curriculum
Materials Project's Repositories
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.
materialsproject/fireworks
The Fireworks Workflow Management Repo.
materialsproject/atomate2
atomate2 is a library of computational materials science workflows
materialsproject/crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
materialsproject/matbench
Matbench: Benchmarks for materials science property prediction
materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
materialsproject/api
New API client for the Materials Project
materialsproject/workshop
The Materials Project Workshop Curriculum
materialsproject/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).
materialsproject/jobflow
jobflow is a library for writing computational workflows.
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.
materialsproject/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
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.
materialsproject/pymatgen-analysis-defects
Defect analysis modules for pymatgen
materialsproject/pyrho
materialsproject/maggma
Building blocks for scientific data pipelines
materialsproject/MPContribs
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
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.
materialsproject/dash-mp-components
Plotly Dash components developed by the Materials Project
materialsproject/foundation
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.
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.
materialsproject/mongogrant
grant username and password credentials for roles on mongo databases via email verification
materialsproject/public-docs
The latest documentation for the Materials Project.
materialsproject/pymatgen-addon-template
A template for writing add-on namespace packages for pymatgen
materialsproject/.github
materialsproject/MPCite
Continuous and High-Throughput Allocation of Digital Object Identifiers for Materials Data in the Materials Project
materialsproject/binder
A ready-to-use environment for trying the Materials Project software stack based on the Binder (https://mybinder.org) service.
materialsproject/status
Status page for Materials Project website and services
materialsproject/MPShips
app gallery and template for contributed apps