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.
jobflow
jobflow is a library for writing computational workflows.
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.
workshop
The Materials Project Workshop Curriculum
materialsproject'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/custodian
A simple, robust and flexible just-in-time job management framework in Python.
materialsproject/matbench
Matbench: Benchmarks for materials science property prediction
materialsproject/api
New API client for the Materials Project
materialsproject/workshop
The Materials Project Workshop Curriculum
materialsproject/jobflow
jobflow is a library for writing computational workflows.
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/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/maggma
Building blocks for scientific data pipelines
materialsproject/MPContribs
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
materialsproject/pyrho
materialsproject/dash-mp-components
Plotly Dash components developed by the 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/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