https://github.com/berquist/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Science Score: 18.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
○codemeta.json file
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○.zenodo.json file
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○DOI references
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○Academic publication links
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○Academic email domains
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (16.2%) to scientific vocabulary
Repository
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Basic Info
- Host: GitHub
- Owner: berquist
- License: bsd-3-clause
- Language: C++
- Default Branch: master
- Homepage: http://openchemistry.org/avogadro2
- Size: 40.9 MB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 1
- Releases: 0
Metadata Files
README.md
Avogadro 2
Introduction
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Core features and goals of the Avogadro project include:
- Open source distributed under the liberal 3-clause BSD license
- Cross platform with builds on Linux, Mac OS X and Windows
- Intuitive interface designed to be useful to whole community
- Fast and efficient embracing the latest technologies
- Extensible, making extensive use of a plugin architecture
- Flexible supporting a range of chemical data formats and packages
The code in this repository is a rewrite of Avogadro with source code split across a libraries repository and an application repository. The new code architecture provides a high-performance rendering engine, modern code development, and significantly improved speed and stability.
Avogadro 2 is being developed as part of the Open Chemistry project by an open community, and was started at Kitware as an open source community project. The Avogadro 1.x series currently has more features, and can be found here. We are actively porting more features to the Avogadro 2 code base, and making regular releases to get feedback from the community.
Installing
We provide nightly binaries built by GitHub actions for:
If you would like to build from source we recommend that you follow our building Open Chemistry guide that will take care of building most dependencies.
Contributing
We welcome all kinds of contributions as a community project, from bug reports, feature suggestions, language translations, Python plugins, and C++ code development.
Our project uses the standard GitHub pull request process for code review and integration. Please check our contribution guide for more details on developing and contributing to the project. The GitHub issue tracker can be used to report bugs, make feature requests, etc. Our API is documented online with updated documentation generated nightly.
To introduce yourself, ask for help, or general discussion, we welcome everyone to our forum
Contributors Hall of Fame:
Owner
- Name: Eric Berquist
- Login: berquist
- Kind: user
- Location: Boston, MA
- Company: Sandia National Laboratories
- Repositories: 403
- Profile: https://github.com/berquist
full-stack quantum chemist
Citation (CITATION.cff)
# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!
cff-version: 1.2.0
title: Avogadro
message: >-
Please cite this software using the metadata from
'preferred-citation'.
type: software
authors:
- given-names: Marcus
family-names: Hanwell
orcid: 'https://orcid.org/0000-0002-5851-5272'
- given-names: Geoffrey
family-names: Hutchison
affiliation: University of Pittsburgh
orcid: 'https://orcid.org/0000-0002-1757-1980'
identifiers:
- type: doi
value: 10.1186/1758-2946-4-17
description: Avogadro Paper
- type: doi
value: 10.1186/1758-2946-5-25
description: Avogadro2 Chemical Markup Language
repository-code: 'https://github.com/openchemistry/avogadrolibs'
url: 'https://two.avogadro.cc/'
abstract: >-
Avogadro is an advanced molecule editor and
visualizer designed for cross-platform use in
computational chemistry, molecular modeling,
bioinformatics, materials science, and related
areas. It offers flexible high quality rendering
and a powerful plugin architecture.
keywords:
- open source
- cheminformatics
- computational chemistry
- scientific visualization
- open chemistry
- open science
- OpenGL
license: BSD-3-Clause
GitHub Events
Total
- Push event: 43
Last Year
- Push event: 43