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pymatgen Public
Forked from materialsproject/pymatgenPython 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…
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data_v-ZSISA-QHA Public
Forked from abinit/data_v-ZSISA-QHAData for v-ZSISA-QHA, see Phys. Rev. B 110, 014103 (2024).
Python GNU Lesser General Public License v2.1 UpdatedJun 19, 2025 -
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monty Public
Forked from materialsvirtuallab/montyThis 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.
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abinit_web Public
Forked from abinit/abinit_webAll stuff related to the ABINIT web site : html pages, documents, figures (incl. pseudopotential) ...
GNU General Public License v3.0 UpdatedJan 12, 2025 -
eos_workflow Public
Forked from jingslaw/eos_workflowA workflow for eos calculations
Python Other UpdatedNov 2, 2024 -
abinit Public
Forked from abinit/abinitABINIT is an atomic-scale simulation software suite. http://www.abinit.org
Fortran Other UpdatedOct 28, 2024 -
abinit-feedstock Public
Forked from conda-forge/abinit-feedstockA conda-smithy repository for abinit.
Shell BSD 3-Clause "New" or "Revised" License UpdatedOct 16, 2024 -
atomate2 Public
Forked from materialsproject/atomate2atomate2 is a library of computational materials science workflows
Python Other UpdatedOct 16, 2024 -
jobflow-remote Public
Forked from Matgenix/jobflow-remotejobflow-remote is a Python package to run jobflow workflows on remote resources.
Python Other UpdatedSep 19, 2024 -
iscspam.github.io Public
Forked from iscspam/iscspam.github.ioInternational Symposium on Computational Structure Prediction and Advanced Materials
HTML UpdatedAug 22, 2024 -
pymatgen-analysis-diffusion Public
Forked from materialsvirtuallab/pymatgen-analysis-diffusionThis add-on to pymatgen provides tools for analyzing diffusion in materials.
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 9, 2024 -
sphinx-gallery Public
Forked from sphinx-gallery/sphinx-gallerySphinx extension for automatic generation of an example gallery
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 31, 2024 -
yambo Public
Forked from yambo-code/yamboThis is the official GPL repository of the yambo code
Fortran GNU General Public License v2.0 UpdatedJul 31, 2024 -
panel Public
Forked from holoviz/panelA high-level app and dashboarding solution for Python
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 31, 2024 -
IFermi Public
Forked from fermisurfaces/IFermiFermi surface generation, analysis and visualisation.
Python MIT License UpdatedJul 31, 2024 -
phonopy Public
Forked from phonopy/phonopyPhonon code
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 30, 2024 -
wannier90 Public
Forked from wannier-developers/wannier90Official repository of the Wannier90 code
Roff GNU General Public License v2.0 UpdatedJun 20, 2024 -
acwf-verification-scripts Public
Forked from aiidateam/acwf-verification-scriptsScripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
Python MIT License UpdatedNov 21, 2023 -
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easybuild-easyconfigs Public
Forked from easybuilders/easybuild-easyconfigsA collection of easyconfig files that describe which software to build using which build options with EasyBuild.
Python GNU General Public License v2.0 UpdatedJun 23, 2023 -
abipy-feedstock Public
Forked from conda-forge/abipy-feedstockA conda-smithy repository for abipy.
BSD 3-Clause "New" or "Revised" License UpdatedMar 23, 2023 -
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abinit_gw_benchmarks Public
Input files to benchmark the GW part of Abinit
Shell UpdatedApr 4, 2022 -
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bokeh Public
Forked from bokeh/bokehInteractive Data Visualization in the browser, from Python
Python BSD 3-Clause "New" or "Revised" License UpdatedJul 1, 2021
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