Materials Project
Materials Project
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 Pro...
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.
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
jobflow
jobflow is a library for writing computational workflows.