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    17 repositories

    • pyprocar

      Public
      A Python library for electronic structure pre/post-processing
      pythondftelkbandstructurevaspabinitband-unfolderfermi-surfaces
      Python
      •
      GNU General Public License v3.0
      •81•187•110•4•Updated Aug 14, 2025Aug 14, 2025

    • ForensicFit

      Public
      TeX
      •
      GNU General Public License v3.0
      •0•2•0•10•Updated Aug 11, 2025Aug 11, 2025

    • MechElastic

      Public
      A Python library to calculate elastic properties of materials.
      HTML
      •
      GNU General Public License v3.0
      •23•59•3•0•Updated Jul 23, 2025Jul 23, 2025

    • MatGraphDB

      Public
      Python
      •
      MIT License
      •0•0•0•1•Updated Jun 2, 2025Jun 2, 2025

    • ElasTensor

      Public
      Python package to calculate second and third-order elastic constants from Density Functional Theory
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 2, 2025Apr 2, 2025

    • Notebooks_4SIAH

      Public
      Jupyter Notebooks for Scientist in a Hurry
      Jupyter Notebook
      •1•2•0•0•Updated Jul 26, 2024Jul 26, 2024

    • pyprocar5.6.6

      Public
      documentation
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Jun 14, 2023Jun 14, 2023

    • Jupyter_notebooks

      Public
      Jupyter Notebook
      •7•4•0•1•Updated Aug 12, 2022Aug 12, 2022

    • pyprocar-feedstock

      Public
      A conda-smithy repository for pyprocar.
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated Jun 23, 2021Jun 23, 2021

    • pyBiblio

      Public
      pyBiblio is a Python library providing a set of functions to compute basic bibliometric measures
      Python
      •
      MIT License
      •0•2•0•0•Updated Jun 10, 2021Jun 10, 2021

    • Crystallography

      Public
      Jupyter Notebook Crash Coarse for crystallography
      Jupyter Notebook
      •2•2•0•0•Updated Feb 13, 2021Feb 13, 2021

    • CrystalCompanion

      Public
      A python tool to be used with the crystallography jupyter notebook crash corse
      Python
      •0•1•0•0•Updated Dec 7, 2020Dec 7, 2020

    • CondensedMatter_Jupyter

      Public
      Jupyter Notebook
      •4•9•0•0•Updated Oct 17, 2020Oct 17, 2020

    • SubMatch

      Public
      A python based website and code for searching for substrates in OQMD database
      JavaScript
      •0•0•0•0•Updated Sep 21, 2020Sep 21, 2020

    • StructureGenerator

      Public
      Python
      •0•0•0•0•Updated Aug 19, 2020Aug 19, 2020

    • mdwc3

      Public
      A Python library for ab-initio molecular dynamics simulations
      pythondftfortranmolecular-dynamics
      C
      •
      GNU General Public License v3.0
      •1•6•0•0•Updated Mar 31, 2020Mar 31, 2020

    • mdwc

      Public
      Fortran
      •1•2•0•1•Updated Apr 24, 2019Apr 24, 2019