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Open Source Science

https://github.com/aiidateam/qe-tools

A set of useful tools for Quantum ESPRESSO

https://github.com/aiidateam/qe-tools

Science Score: 23.0%

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
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    3 of 12 committers (25.0%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (3.0%) to scientific vocabulary

Keywords from Contributors

aiida quantum-espresso materials-science common-workflows dft materials-informatics physics pytest
Last synced: 10 months ago · JSON representation

Repository

A set of useful tools for Quantum ESPRESSO

Basic Info
  • Host: GitHub
  • Owner: aiidateam
  • License: mit
  • Language: Python
  • Default Branch: main
  • Size: 331 KB
Statistics
  • Stars: 33
  • Watchers: 3
  • Forks: 13
  • Open Issues: 10
  • Releases: 0
Created over 8 years ago · Last pushed about 1 year ago
Metadata Files
Readme Changelog License

README.md

qe-tools

This repository contains a set of useful tools for Quantum ESPRESSO, in particular

  • a parser for pw.x input files
  • a parser for cp.x input files

The code is developed and maintained by the AiiDA Team and is licensed under the MIT license (see LICENSE file).

Owner

  • Name: AiiDA team
  • Login: aiidateam
  • Kind: organization

The development team of AiiDA

GitHub Events

Total
  • Issues event: 3
  • Watch event: 4
  • Delete event: 3
  • Issue comment event: 9
  • Push event: 8
  • Pull request review comment event: 3
  • Pull request event: 7
  • Pull request review event: 6
  • Create event: 3
Last Year
  • Issues event: 3
  • Watch event: 4
  • Delete event: 3
  • Issue comment event: 9
  • Push event: 8
  • Pull request review comment event: 3
  • Pull request event: 7
  • Pull request review event: 6
  • Create event: 3

Committers

Last synced: about 1 year ago

All Time
  • Total Commits: 103
  • Total Committers: 12
  • Avg Commits per committer: 8.583
  • Development Distribution Score (DDS): 0.612
Past Year
  • Commits: 5
  • Committers: 1
  • Avg Commits per committer: 5.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Giovanni Pizzi g****i@e****h 40
Sebastiaan Huber m****l@s****t 18
Leonid Kahle l****e@e****h 12
Dominik Gresch a****s@m****m 11
Dominik Gresch g****d 7
Marnik Bercx m****x@g****m 6
Edan Bainglass 4****s 3
Leopold Talirz l****z@g****m 2
Qi Zhang 2****i 1
Michail Minotakis m****m@t****e 1
Kristjan Eimre e****k 1
Elsa Passaro e****o@e****h 1
Committer Domains (Top 20 + Academic)
epfl.ch: 3 tcd.ie: 1 microsoft.com: 1 sphuber.net: 1

Issues and Pull Requests

Last synced: 11 months ago

All Time
  • Total issues: 29
  • Total pull requests: 56
  • Average time to close issues: 4 months
  • Average time to close pull requests: 14 days
  • Total issue authors: 10
  • Total pull request authors: 11
  • Average comments per issue: 2.1
  • Average comments per pull request: 1.0
  • Merged pull requests: 54
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 3
  • Pull requests: 5
  • Average time to close issues: N/A
  • Average time to close pull requests: 3 months
  • Issue authors: 1
  • Pull request authors: 2
  • Average comments per issue: 0.0
  • Average comments per pull request: 2.2
  • Merged pull requests: 4
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • greschd (11)
  • giovannipizzi (6)
  • mbercx (3)
  • sphuber (2)
  • ltalirz (2)
  • whzhangg (1)
  • lekah (1)
  • t-reents (1)
  • hududed (1)
  • hongyi-zhao (1)
Pull Request Authors
  • greschd (16)
  • giovannipizzi (12)
  • mbercx (10)
  • sphuber (9)
  • edan-bainglass (6)
  • lekah (5)
  • gbrunin (2)
  • singularitti (1)
  • Minotakm (1)
  • elsapassaro (1)
Top Labels
Issue Labels
bug (6) question (1)
Pull Request Labels

Packages

  • Total packages: 2
  • Total downloads:
    • pypi 4,782 last-month
  • Total docker downloads: 730
  • Total dependent packages: 6
    (may contain duplicates)
  • Total dependent repositories: 2
    (may contain duplicates)
  • Total versions: 15
  • Total maintainers: 5
pypi.org: qe-tools

A set of useful tools to manage Quantum ESPRESSO files.

  • Versions: 12
  • Dependent Packages: 5
  • Dependent Repositories: 2
  • Downloads: 4,782 Last month
  • Docker Downloads: 730
Rankings
Dependent packages count: 1.6%
Docker downloads count: 2.4%
Downloads: 5.2%
Average: 7.4%
Forks count: 10.5%
Dependent repos count: 11.6%
Stargazers count: 13.1%
Maintainers (5)
gio.piz sphuber greschd mbercx lekah
Last synced: 11 months ago
conda-forge.org: qe-tools
  • Versions: 3
  • Dependent Packages: 1
  • Dependent Repositories: 0
Rankings
Dependent packages count: 28.8%
Dependent repos count: 34.0%
Average: 37.5%
Forks count: 40.9%
Stargazers count: 46.3%
Last synced: 11 months ago