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BaderKit: A Python Package for Grid-based Bader Charge Analysis

BaderKit: A Python Package for Grid-based Bader Charge Analysis - Published in JOSS (2026)

https://github.com/sweav02/baderkit

Science Score: 87.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ○
    codemeta.json file
  • ○
    .zenodo.json file
  • ✓
    DOI references
    Found 1 DOI reference(s) in JOSS metadata
  • ○
    Academic links in README
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ✓
    JOSS paper metadata
    Published in Journal of Open Source Software
Last synced: about 2 months ago · JSON representation

JOSS Publication

BaderKit: A Python Package for Grid-based Bader Charge Analysis
Published
May 02, 2026
DOI
Volume 11, Issue 121, Page 9943
Authors
Samuel M. Weaver ORCID
University of North Carolina Chapel Hill, United States of America
Scott Warren ORCID
University of North Carolina Chapel Hill, United States of America
Editor
Bonan Zhu ORCID
Tags
Chemistry Quantum Theory of Atoms in Molecules Topology Oxidation States Bader
View PDF Review Thread Software Archive

Issues and Pull Requests

Last synced: 2 months ago

All Time
  • Total issues: 8
  • Total pull requests: 54
  • Average time to close issues: 7 days
  • Average time to close pull requests: about 14 hours
  • Total issue authors: 1
  • Total pull request authors: 1
  • Average comments per issue: 1.0
  • Average comments per pull request: 0.07
  • Merged pull requests: 49
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 8
  • Pull requests: 54
  • Average time to close issues: 7 days
  • Average time to close pull requests: about 14 hours
  • Issue authors: 1
  • Pull request authors: 1
  • Average comments per issue: 1.0
  • Average comments per pull request: 0.07
  • Merged pull requests: 49
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • SWeav02 (8)
Pull Request Authors
  • SWeav02 (54)
Top Labels
Issue Labels
enhancement (7) bug (1)
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 385 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 19
  • Total maintainers: 1
pypi.org: baderkit

BaderKit is a python reimplementaion of the Henkelman Group's Bader code built on numba, numpy, and pymatgen.

  • Versions: 19
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 385 Last month
Rankings
Dependent packages count: 9.0%
Average: 29.8%
Dependent repos count: 50.6%
Maintainers (1)
SamMWeaver
Last synced: about 2 months ago