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github.com/OpenChemistry/avogadrolibs @2.0.0

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6,542 symbols 18,282 edges 764 files 603 documented · 9% updated 9d ago2.0.0 · 2026-04-01★ 653101 open issues

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README

Avogadro 2 Avogadro 2

Latest Release BSD License Codacy Badge Download Count Citation Count PRs Welcome GitHub contributors OpenCollective Backers Linux Build Windows Build macOS Build

Introduction

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, education, 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
  • An intuitive interface designed to be useful to the 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

Avogadro 2 began as a rewrite of the original Avogadro 1.x, which is now unsupported. The successor is faster, better, much more stable, and [more feature-rich] (https://two.avogadro.cc/docs/whats-new-in-avogadro-2/).

Avogadro's codebase is 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 is being developed as part of the Open Chemistry project by an open community, which was started at Kitware as an open-source community project.

Installing

For the most up-to-date experience use the continuous builds prepared by GitHub actions for:

We also maintain a beta Flatpak for Linux that is updated with the lastest changes every week or two.

For full releases and an overview of all available ways to obtain Avogadro see the overview on the Avogadro website.

Binaries and the source code for each release can be found on the GitHub releases page.

If you would like to build from source we recommend that you follow our build guide.

User guide

Our user documentation can be found on the Avogadro website, as well as a brief guide to getting started.

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:

Core symbols most depended-on inside this repo

Shape

Method 4,475
Function 1,033
Class 922
Enum 112

Languages

C++99%
Python1%

Modules by API surface

avogadro/qtgui/rwmolecule_undo.h109 symbols
avogadro/core/molecule.cpp93 symbols
avogadro/qtplugins/openmminput/openmminputdialog.cpp69 symbols
avogadro/core/molecule.h64 symbols
avogadro/qtplugins/lammpsinput/lammpsinputdialog.cpp52 symbols
avogadro/calc/uff.cpp51 symbols
python/avogadro/energy.py50 symbols
avogadro/qtgui/rwmolecule.cpp50 symbols
avogadro/qtplugins/qtaim/qtaimcubature.cpp48 symbols
tests/calc/energycalculatortest.cpp44 symbols
avogadro/core/array.h40 symbols
avogadro/rendering/textproperties.h38 symbols

For agents

$ claude mcp add avogadrolibs \
  -- python -m otcore.mcp_server <graph>

⬇ download graph artifact

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