Materials-Consortia/optimade-python-tools

Specification of a common REST API for access to materials databases

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

Data mining for materials science

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.

New API client for the Materials Project

Tutorials for using the pymatgen library

Matbench: Benchmarks for materials science property prediction

atomate2 is a library of computational materials science workflows

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.