Avogadro2

Avogadro2 2.1.0

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

  • By https://avogadro.cc/
  • Open Source
  • Updated Oct 23, 2026
Download for Windows

About Avogadro2

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

What's new in 2.1.0

We are pleased to announce the Avogadro 2.1, with new features, performance improvements, and piles of bug fixes. A particular effort was made to improve testing and code quality.

Thanks to everyone who made suggestions, bug reports, translations, and discussions. Avogadro is built from the community, and we appreciate all the help.

Avogadro v2 was designed as a platform to make it easy to build the next generation of molecular and materials visualization, including fast modern rendering and improved stability. With this release, we mark 30 plugins and will offer tutorials on making your tools easily available as plugins.

🌟 Highlights (tldr)

  • New Z-matrix editor：view and edit internal coordinates, including constraints, dummy atoms for linear molecules, and drag-and-drop to reorder atoms. Input generators can now write Z-matrix coordinates.
  • Faster, smoother geometry optimization using the ABC-FIRE method and a hybrid mode that is now the default for Optimize and AutoOpt.
  • Much faster orbitals and surfaces：Gaussian basis set calculations are up to 20-25× faster, large ORCA files load much faster too.
  • Improved conformer and dynamics plot including geometry parameters, velocities, temperature, etc.
  • Batch energies and forces：recalculate energies and forces for every conformer or frame at once, in batches suited to ML potentials.
  • New building tools
  • An initial polymer builder - feedback welcome
  • D-amino acids in the peptide builder.
  • Edit distances, angles, and dihedrals directly in the Measure tool.
  • PDB biological assemblies (tested to ~1 million atoms).
  • Fractional supercells.
  • Better support for CIF files, including space group perception from transforms.
  • New camera controls：virtual trackball rotation for all tools, keyboard shortcuts for rotating, and click-and-drag to focus on an atom.
  • Custom properties：atom, bond, residue, and conformer properties are kept and can be viewed and edited in the property tables.
  • Better vibrations：each step of an optimization or scan can now have its own vibrations, displaced geometries can be generated, and ORCA symmetry labels are read.
  • Scripting and automation
  • Many tools can now be controlled through a JSON-RPC interface, including selection, measurement, force fields, constraints, symmetry, spectra, colors, and hydrogens. …

Full release notes »

Technical details

Publisherhttps://avogadro.cc/
Version2.1.0
Release date2026-10-23
LicenseBSD-3-Clause
Installer typenullsoft
Architecturex64
Package IDOpenChemistry.Avogadro2
Install scopeAll users

Install Avogadro2 from the command line

Install with Windows Package Manager
winget install --id=OpenChemistry.Avogadro2 -e
Update to the latest version
winget upgrade --id=OpenChemistry.Avogadro2 -e
Uninstall
winget uninstall --id=OpenChemistry.Avogadro2 -e
Silent install with the offline installer
"Avogadro2-2.1.0-win64.exe" /S

avogadrochemistrycompchemcross-platformdesktophacktoberfestopen-scienceopenchemistryqt5visualization

Avogadro2 version history

2.0.0 Apr 1, 2026

We are pleased to announce the latest release of Avogadro, including piles of bug fixes and many feature enhancements. Thanks to many for suggestions, bug reports, translations, and discussions. Avogadro is built from the community, and we appreciate all the help.

Avogadro v2 was designed for fast modern rendering and improved stability. It is a platform to make it easy to build the next generation of molecular and materials visualization and editing tools. If you haven't used an Avogadro2 beta (1.95 through 1.103) you will find many new features, performance improvements and changes.

🌟 Highlights (tldr)

  • New plugin system will load menu commands, input generators, file formats, energy and electrostatic models, including installation of any required libraries and tools using pixi on Mac and Windows. (Highly recommended on Linux too)
  • New plugin install window and index, including over 20 plugins (and growing)
  • Includes a variety of ML potentials, charge assignment using AM1-BCC and ABCG2, building nanotubes and surface slabs, generating disordered ice unit cells, and many more.
  • Easy to build and customize with Python - link to a wide variety of packages
  • Faster geometry optimizations ~50% faster on all models, and up to 5-10x faster on large molecules using UFF.
  • Added a faster protocol for using external energy models, including ML potentials, XTB, and more. …
1.100.0 Jan 22, 2025

🌟 Highlights (tldr)
- New rendering options, including depth-of-field blur and fog from @perminder-17
- Faster surface mesh generation using the flying edges algorithm @perminder-17
- Brought back the "molecular orbitals" panel @ghutchis
- Support for translucent balls-and-sticks, van der Waals spheres, and licorice rendering including per-layer customization @ghutchis
- New, improved Flatpak package from @matterhorn103 including support for ARM
- New conformer properties window @ghutchis
- New improved molecular properties window, including charge and spin multiplicity, HOMO and LUMO energies, total energies and other properties (depending on file format) @ghutchis
- Many more properties parsed from ORCA output files including Hirshfeld, MBIS, and CHELPG charges @ghutchis
- Code signing on Windows to minimize Defender warnings @ghutchis thanks to SignPath
- Support for latest Qt6 on Linux @matterhorn103
✨ Features
- Improved spectra plots, including NMR, UV and CD spectra
- Add support for reading and rendering DNA / RNA backbones
- Improve python selection dialog
- Calculate and render dipole moments
- Edit molecule name, charge, and spin in properties
- Improve manipulate dialog - rotate around origin, molecule center, selection center
- Update the template tool to place ligands or functional groups
- Support for additional secondary structures (3-10 and pi helix) @TactfulDeity
- Implement g orbitals
- cp2kinput improvements @e-kwsm …

1.99.0 Feb 11, 2024

Frequently asked questions

Is Avogadro2 free?

Yes. Avogadro2 is free and open-source software released under the BSD-3-Clause license.

What is the latest version of Avogadro2?

The latest version is 2.1.0, released on Oct 23, 2026.

Is it safe to download Avogadro2?

The download button links to the official installer published on github.com, the same file Windows Package Manager installs. You can verify the downloaded file by comparing its SHA-256 checksum with b75884ab13412b7c936d99546ba1a5fcb2037dd432895f41cb6cfa0fa5b4d564.

Which Windows versions does Avogadro2 support?

Avogadro2 runs on Windows and is available for 64-bit (x64) systems.

How do I install Avogadro2 silently?

Run the offline installer with "Avogadro2-2.1.0-win64.exe" /S, or install it with Windows Package Manager: winget install --id=OpenChemistry.Avogadro2 -e --silent.

How do I uninstall Avogadro2?

Open Settings › Apps › Installed apps, find Avogadro2 and select Uninstall. From the command line, run winget uninstall --id=OpenChemistry.Avogadro2 -e.

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