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Open Source Science

https://github.com/mphowardlab/lammpsio

Python tools for working with LAMMPS files

https://github.com/mphowardlab/lammpsio

Science Score: 36.0%

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

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    1 of 1 committers (100.0%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (6.0%) to scientific vocabulary

Keywords

lammps molecular-dynamics python
Last synced: 4 months ago · JSON representation

Repository

Python tools for working with LAMMPS files

Basic Info
  • Host: GitHub
  • Owner: mphowardlab
  • License: bsd-3-clause
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 484 KB
Statistics
  • Stars: 11
  • Watchers: 1
  • Forks: 2
  • Open Issues: 5
  • Releases: 11
Topics
lammps molecular-dynamics python
Created over 4 years ago · Last pushed 4 months ago
Metadata Files
Readme Changelog License Code of conduct

README.md

lammpsio

PyPI version PyPI downloads Conda

lammpsio provides a Python interface for reading and writing LAMMPS data and dump files. It also enables interconversion with HOOMD-blue's GSD format. This flexible package enables users to work with LAMMPS files in a variety of ways that improve workflow efficiency and reproducibility.

lammpsio is a pure Python package that can be installed using pip:

pip install lammpsio

or conda:

conda install -c conda-forge lammpsio

Owner

  • Name: mphowardlab
  • Login: mphowardlab
  • Kind: organization

JOSS Publication

lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python
Published
December 21, 2025
DOI
Volume 10, Issue 116, Page 8962
Authors
C. Levi Petix ORCID
Department of Chemical Engineering, Auburn University, Auburn, AL 36849, United States of America
Mayukh Kundu ORCID
Department of Chemical Engineering, Auburn University, Auburn, AL 36849, United States of America
Michael P. Howard ORCID
Department of Chemical Engineering, Auburn University, Auburn, AL 36849, United States of America
Editor
Rachel Kurchin ORCID
Tags
LAMMPS molecular dynamics simulation data GSD
View PDF Review Thread Software Archive

GitHub Events

Total
  • Create event: 16
  • Release event: 1
  • Issues event: 7
  • Watch event: 3
  • Delete event: 17
  • Issue comment event: 23
  • Push event: 120
  • Pull request event: 25
  • Pull request review comment event: 89
  • Pull request review event: 58
  • Fork event: 2
Last Year
  • Create event: 16
  • Release event: 1
  • Issues event: 7
  • Watch event: 3
  • Delete event: 17
  • Issue comment event: 23
  • Push event: 120
  • Pull request event: 25
  • Pull request review comment event: 89
  • Pull request review event: 58
  • Fork event: 2

Committers

Last synced: almost 3 years ago

All Time
  • Total Commits: 20
  • Total Committers: 1
  • Avg Commits per committer: 20.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Michael Howard m****d@a****u 20
Committer Domains (Top 20 + Academic)
auburn.edu: 1

Issues and Pull Requests

Last synced: 4 months ago

All Time
  • Total issues: 20
  • Total pull requests: 70
  • Average time to close issues: 5 months
  • Average time to close pull requests: 6 days
  • Total issue authors: 3
  • Total pull request authors: 6
  • Average comments per issue: 0.8
  • Average comments per pull request: 0.77
  • Merged pull requests: 65
  • Bot issues: 0
  • Bot pull requests: 23
Past Year
  • Issues: 4
  • Pull requests: 34
  • Average time to close issues: about 1 month
  • Average time to close pull requests: 4 days
  • Issue authors: 2
  • Pull request authors: 5
  • Average comments per issue: 1.0
  • Average comments per pull request: 0.94
  • Merged pull requests: 30
  • Bot issues: 0
  • Bot pull requests: 15
View more stats
Top Authors
Issue Authors
  • mphoward (14)
  • clpetix (6)
  • PhilLecl (3)
Pull Request Authors
  • mphoward (28)
  • dependabot[bot] (25)
  • clpetix (21)
  • pre-commit-ci[bot] (9)
  • PhilLecl (8)
  • mayukh33 (4)
Top Labels
Issue Labels
bug (4) enhancement (2) good first issue (1) documentation (1)
Pull Request Labels
dependencies (25) enhancement (2) bug (2) github_actions (1)

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 846 last-month
  • Total dependent packages: 1
  • Total dependent repositories: 1
  • Total versions: 11
  • Total maintainers: 1
pypi.org: lammpsio

Python tools for working with LAMMPS

  • Versions: 11
  • Dependent Packages: 1
  • Dependent Repositories: 1
  • Downloads: 846 Last month
Rankings
Dependent packages count: 4.8%
Downloads: 8.7%
Average: 18.6%
Dependent repos count: 21.6%
Stargazers count: 27.9%
Forks count: 29.8%
Maintainers (1)
mphoward
Last synced: 4 months ago

Dependencies

requirements.txt pypi
  • numpy *
.github/workflows/publish.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
  • pypa/gh-action-pypi-publish v1.5.1 composite
.github/workflows/test.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
tests/requirements.txt pypi
  • numpy ==1.23.4 test
  • pytest ==7.1.3 test
  • pytest-lazy-fixture ==0.6.3 test
pyproject.toml pypi
requirements-dev.txt pypi
  • black * development
  • flake8 * development
  • isort * development
  • pre-commit * development
setup.py pypi