Jobflow — Peer-reviewed • Rank 20.5 • Science 100%

Jobflow: Computational Workflows Made Simple - Published in JOSS (2024)

pymatgen-analysis-defects — Peer-reviewed • Rank 18.8 • Science 95%

pymatgen-analysis-defects: A Python package for analyzing point defects in crystalline materials - Published in JOSS (2024)

pyrho • Rank 18.3 • Science 77%

crystal-toolkit • Rank 22.6 • Science 64%

Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.

reaction-network • Rank 12.0 • Science 67%

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).

pymatgen • Rank 26.6 • Science 49%

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.

atomate2 • Rank 23.0 • Science 49%

atomate2 is a library of computational materials science workflows

matbench • Rank 14.5 • Science 49%

Matbench: Benchmarks for materials science property prediction

mpcontribs • Rank 7.7 • Science 54%

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