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

    Python MIT License Updated Mar 3, 2025
  • atomate2 is a library of computational materials science workflows

    Python Other Updated Mar 1, 2025
  • jobflow-remote is a Python package to run jobflow workflows on remote resources.

    Python Other Updated Jan 14, 2025
  • LangSim Public

    Forked from jan-janssen/LangSim

    Application of Large Language Models (LLM) for computational materials science

    Python BSD 3-Clause "New" or "Revised" License Updated Jul 19, 2024
  • atomate is a powerful software for computational materials science and contains pre-built workflows.

    Python Other Updated Jun 14, 2024
  • 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 i…

    Python Other Updated Dec 6, 2023
  • bandup Public

    Forked from band-unfolding/bandup

    BandUP: Band Unfolding code for Plane-wave based calculations

    Fortran 1 GNU General Public License v3.0 Updated Apr 9, 2021
  • Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook BSD 3-Clause "New" or "Revised" License Updated Aug 31, 2020
  • monty Public

    Forked from materialsvirtuallab/monty

    This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

    Python MIT License Updated Jun 24, 2020
  • A new implementation of Powerline for Emacs

    Emacs Lisp GNU General Public License v3.0 Updated Jun 11, 2020
  • emacs Public

    Forked from emacs-mirror/emacs

    Mirror of GNU Emacs

    Emacs Lisp GNU General Public License v3.0 Updated Apr 5, 2020
  • orca Public

    Forked from abo-abo/orca

    ORg CApture

    Emacs Lisp Updated Jan 22, 2020
  • emmet Public

    Forked from materialsproject/emmet

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

    Python Other Updated Jan 16, 2019
  • amset Public

    Forked from hackingmaterials/amset

    Ab initio Mobility, Seebeck, and Transport

    Python Other Updated Nov 9, 2018
  • Modules used by contributors to enable their data submissions via MP's contribution framework

    Python Updated Jan 26, 2018