JOSS: https://github.com/SMTG-Bham/doped

ab-initio computational-chemistry computational-materials-science defect-calculation defect-formation-energy defect-levels defect-thermodynamics defects dft doping fermi-level point-defects pymatgen semiconductors shakenbreak transition-levels vasp

Score: 18.285484766675207

Last synced: about 20 hours ago
JSON representation

Repository metadata:

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

• Host: GitHub
• URL: https://github.com/SMTG-Bham/doped
• Owner: SMTG-Bham
• License: mit
• Created: 2020-05-19T10:29:58.000Z (about 6 years ago)
• Default Branch: main
• Last Pushed: 2026-07-30T21:36:35.000Z (14 days ago)
• Last Synced: 2026-08-07T03:49:25.159Z (7 days ago)
• Topics: ab-initio, computational-chemistry, computational-materials-science, defect-calculation, defect-formation-energy, defect-levels, defect-thermodynamics, defects, dft, doping, fermi-level, point-defects, pymatgen, semiconductors, shakenbreak, transition-levels, vasp
• Language: Python
• Homepage: https://doped.readthedocs.io
• Size: 1000 MB
• Stars: 272
• Watchers: 16
• Forks: 51
• Open Issues: 9
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.rst
  • Contributing: docs/Contributing.rst
  • License: LICENSE
  • Citation: CITATION.cff

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Owner metadata:

• Name: Scanlon Materials Theory Group
• Login: SMTG-Bham
• Email:
• Kind: organization
• Description:
• Website: http://davidscanlon.com
• Location: UCL, UK
• Twitter:
• Company:
• Icon url: https://avatars.githubusercontent.com/u/14860406?v=4
• Repositories: 1
• Last Synced at: 2023-09-17T22:43:10.881Z
• Profile URL: https://github.com/SMTG-Bham

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GitHub Events

Total

• Create event: 7
• Delete event: 3
• Fork event: 6
• Issue comment event: 198
• Issues event: 81
• Pull request event: 10
• Pull request review comment event: 66
• Pull request review event: 32
• Push event: 151
• Release event: 2
• Watch event: 82
• Total: 638

Last Year

• Create event: 3
• Fork event: 3
• Issue comment event: 35
• Issues event: 11
• Pull request event: 3
• Pull request review comment event: 15
• Pull request review event: 12
• Push event: 30
• Watch event: 22
• Total: 134

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Committers metadata

Last synced: 13 days ago

Name	Email	Commits
Sean Kavanagh	s****9@i****k	2250
alexsquires	a****s@g****m	50
adair-nicolson	5****n	45
ireaml	i****8@g****m	28
brlec	z****l@u****k	27
Teruya Nagafuji	t****2@g****m	10
Bonan Zhu	z****n@o****m	8
Sabrine Hachmioune	6****8	2
savya10	s****8@i****k	2
Aron Walsh	a****h@g****m	2

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Issue and Pull Request metadata

Last synced: 7 days ago

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/SMTG-Bham/doped

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Package metadata

• Total packages: 1
• Total downloads:
  • pypi: 31,084 last-month
• Total dependent packages: 1
• Total dependent repositories: 1
• Total versions: 43
• Total maintainers: 1

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Dependencies