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CrystalNets

A julia package for the manipulation of crystal net representations and topology

https://github.com/coudertlab/crystalnets.jl

Science Score: 77.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 6 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ✓
    Committers with academic emails
    1 of 5 committers (20.0%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (9.7%) to scientific vocabulary

Keywords

chemical crystal julia topology

Keywords from Contributors

julialang numerical programming-language
Last synced: 6 months ago · JSON representation ·

Repository

A julia package for the manipulation of crystal net representations and topology

Basic Info
  • Host: GitHub
  • Owner: coudertlab
  • License: mit
  • Language: Julia
  • Default Branch: master
  • Homepage:
  • Size: 4.98 MB
Statistics
  • Stars: 44
  • Watchers: 4
  • Forks: 3
  • Open Issues: 0
  • Releases: 17
Topics
chemical crystal julia topology
Created almost 6 years ago · Last pushed 9 months ago
Metadata Files
Readme License Citation

README.md

CrystalNets

Build Status Zenodo DOI

A Julia package for determining the topology of a net.

You can use this package through our website interface without any installation required: https://progs.coudert.name/topology !

You can also use it by calling it from Python.

The installation follows the usual procedure. Start by downloading and installing Julia, version 1.6 at least for CrystalNets.jl. This package was optimized with Julia version 1.8 so performance and latency will be better on the more recent versions of Julia. Then, either

  • open the Julia REPL and enter the package manager by typing ], then install CrystalNets.jl by entering: julia pkg> add CrystalNets
  • alternatively, you can do it from a shell by executing: bash julia -e 'import Pkg; Pkg.add("CrystalNets")'

Please read the documentation for more information on the use of CrystalNets.jl and alternative installation as an executable to reduce latency.

The companion article is published in SciPost Chemistry: doi: 10.21468/SciPostChem.1.2.005.

Owner

  • Name: Coudert lab
  • Login: coudertlab
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
title: CrystalNets.jl
message: "If you use this software, please cite it as below."
type: software
authors:
  - given-names: Lionel
    family-names: Zoubritzky
repository-code: "https://github.com/coudertlab/CrystalNets.jl"
url: "https://coudertlab.github.io/CrystalNets.jl/"
license: MIT
version: 1.4.3
identifiers:
  - type: url
    value: "https://scipost.org/SciPostChem.1.2.005/"
    description: The SciPost article.
preferred-citation:
  type: article
  authors:
    - given-names: Lionel
      family-names: Zoubritzky
      affiliation: Chimie ParisTech - PSL
    - given-names: François-Xavier
      family-names: Coudert
      affiliation: Chimie ParisTech - PSL
      orcid: "https://orcid.org/0000-0001-5318-3910"
  title: "CrystalNets.jl: Identification of Crystal Topologies"
  year: 2022
  doi: "10.21468/SciPostChem.1.2.005"

GitHub Events

Total
  • Create event: 4
  • Commit comment event: 11
  • Issues event: 2
  • Release event: 3
  • Watch event: 5
  • Issue comment event: 9
  • Push event: 57
Last Year
  • Create event: 4
  • Commit comment event: 11
  • Issues event: 2
  • Release event: 3
  • Watch event: 5
  • Issue comment event: 9
  • Push event: 57

Committers

Last synced: about 1 year ago

All Time
  • Total Commits: 393
  • Total Committers: 5
  • Avg Commits per committer: 78.6
  • Development Distribution Score (DDS): 0.01
Past Year
  • Commits: 56
  • Committers: 1
  • Avg Commits per committer: 56.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Lionel Zoubritzky l****y@g****m 389
Tim Holy t****y@g****m 1
Rashid Rafeek r****k@g****m 1
Francois-Xavier Coudert f****t@g****m 1
Kevin M. Jablonka k****a@e****h 1
Committer Domains (Top 20 + Academic)
epfl.ch: 1

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 8
  • Total pull requests: 12
  • Average time to close issues: 7 months
  • Average time to close pull requests: about 1 month
  • Total issue authors: 7
  • Total pull request authors: 5
  • Average comments per issue: 8.88
  • Average comments per pull request: 1.5
  • Merged pull requests: 8
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 1
  • Average time to close issues: N/A
  • Average time to close pull requests: 5 minutes
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • egonw (2)
  • kjappelbaum (1)
  • BurnerJ (1)
  • KristofferC (1)
  • fxcoudert (1)
  • qzhu2017 (1)
  • JuliaTagBot (1)
Pull Request Authors
  • Liozou (5)
  • kjappelbaum (4)
  • josheligoldman (2)
  • rashidrafeek (1)
  • timholy (1)
Top Labels
Issue Labels
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • julia 10 total
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 27
juliahub.com: CrystalNets

A julia package for the manipulation of crystal net representations and topology

  • Versions: 27
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 10 Total
Rankings
Dependent repos count: 9.6%
Average: 24.1%
Dependent packages count: 38.6%
Last synced: 6 months ago

Dependencies

.github/workflows/CI.yml actions
  • actions/checkout v2 composite
  • julia-actions/cache v1 composite
  • julia-actions/julia-buildpkg v1 composite
  • julia-actions/julia-runtest v1 composite
  • julia-actions/setup-julia v1 composite
.github/workflows/TagBot.yml actions
  • JuliaRegistries/TagBot v1 composite
.github/workflows/documentation.yml actions
  • actions/checkout v2 composite
  • codecov/codecov-action v1 composite
  • julia-actions/julia-processcoverage v1 composite
  • julia-actions/setup-julia latest composite