12 open source projects by materialsproject

The Fireworks Workflow Management Repo.

Public repo for Materials API documentation

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

New API for the Materials Project

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.github.io/pyrho/

MongoDB aggregation machine

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

jobflow is a library for writing computational workflows.

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

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

atomate2 is a library of computational materials science workflows