Avogadrolibs
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Tdc | 809 |  | 1 | 4 days ago | 26 | February 20, 2022 | 28 | mit | Jupyter Notebook | |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
| Awesome Cheminformatics | 473 | 5 months ago | 14 | |||||||
| A curated list of Cheminformatics libraries and software. | ||||||||||
| Cdk | 410 | 24 | 6 | 16 days ago | 16 | September 14, 2022 | 24 | lgpl-2.1 | Java | |
| The Chemistry Development Kit | ||||||||||
| Avogadrolibs | 316 | 1 | 7 days ago | 9 | June 02, 2022 | 92 | bsd-3-clause | C++ | ||
| Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. | ||||||||||
| Avogadro | 283 | 2 years ago | 238 | gpl-2.0 | C++ | |||||
| Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. | ||||||||||
| Lightdock | 156 | 2 months ago | 2 | gpl-3.0 | Python | |||||
| Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm | ||||||||||
| Celescope | 66 | 4 days ago | 38 | July 07, 2022 | 12 | mit | Python | |||
| Single Cell Analysis Pipelines | ||||||||||
| Awesome Scientific Go | 62 | 3 years ago | cc0-1.0 | |||||||
| Go libraries for scientific computing | ||||||||||
| Pdb2pqr | 58 |  | 1 | 1 | 3 months ago | 15 | January 24, 2022 | 28 | other | Python |
| PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules. | ||||||||||
| Apbs | 44 | 6 months ago | 72 | other | C | |||||
| Software for biomolecular electrostatics and solvation calculations | ||||||||||
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:
