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Open Source Science

https://github.com/ladme/groan_rs

Gromacs Analysis Library for Rust

https://github.com/ladme/groan_rs

Science Score: 26.0%

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
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (5.3%) to scientific vocabulary

Keywords

gromacs molecular-dynamics molecular-dynamics-analysis simulations
Last synced: 5 months ago · JSON representation

Repository

Gromacs Analysis Library for Rust

Basic Info
  • Host: GitHub
  • Owner: Ladme
  • License: mit
  • Language: Rust
  • Default Branch: main
  • Homepage:
  • Size: 26.5 MB
Statistics
  • Stars: 6
  • Watchers: 2
  • Forks: 0
  • Open Issues: 0
  • Releases: 21
Topics
gromacs molecular-dynamics molecular-dynamics-analysis simulations
Created over 2 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog License

README.md

groan_rs: Gromacs Analysis Library for Rust

Rust library for analyzing Gromacs simulations.

While the library is no longer in an early stage of development, it is still unstable. Breaking changes can appear in any new version.

Usage

Run

$ cargo add groan_rs

Import the crate in your Rust code: use groan_rs::prelude::*;

License

This library is released under the MIT License.

Full documentation

For full documentation see the corresponding docs.rs page.

Owner

  • Name: Ladislav Bartos
  • Login: Ladme
  • Kind: user

PhD student in the field of computational biochemistry at CEITEC, Czech Republic.

GitHub Events

Total
  • Release event: 2
  • Watch event: 4
  • Delete event: 1
  • Push event: 94
  • Pull request event: 3
  • Create event: 3
Last Year
  • Release event: 2
  • Watch event: 4
  • Delete event: 1
  • Push event: 94
  • Pull request event: 3
  • Create event: 3

Packages

  • Total packages: 1
  • Total downloads:
    • cargo 30,336 total
  • Total dependent packages: 1
  • Total dependent repositories: 0
  • Total versions: 30
  • Total maintainers: 1
crates.io: groan_rs

Gromacs Analysis Library for Rust

  • Versions: 30
  • Dependent Packages: 1
  • Dependent Repositories: 0
  • Downloads: 30,336 Total
Rankings
Dependent repos count: 30.2%
Dependent packages count: 31.2%
Forks count: 41.0%
Average: 50.3%
Stargazers count: 56.2%
Downloads: 92.8%
Maintainers (1)
Ladme
Last synced: 6 months ago

Dependencies

Cargo.toml cargo
  • file_diff 1.0.0 development
  • float-cmp 0.9.0 development
  • rand 0.8.5 development
  • tempfile 3.5.0 development
  • colored 2.0.0
  • indexmap 1.9.3
  • thiserror 1.0.40