Avogadro Project
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Avogadro Project
@avogadro.cc
290 followers 29 following 26 posts
Advanced molecule editor and visualizer

Currently working towards Avogadro2

https://two.avogadro.cc/
https://discuss.avogadro.cc/
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Dialog with text "Autosave files were found from a previous session. Would you like to recover them" and buttons "No" and "Yes"
November 13, 2025 at 10:47 PM
avogadro.cc
If you've been wondering about the status of the AutoOptimize interactive optimization in Avogadro2 - coming later this month 👀
Screenshot of Avogadro2 using the interactive AutoOptimize tool to minimize a molecule (n-pentane) using the UFF force field. Text reads UFF ΔE = -229.80 kcal/mol
October 6, 2025 at 1:56 PM
avogadro.cc
👀

Coming soon...
Dialog titled "Vibrational Spectra" showing the computed infrared spectra of caffeine with two plots, one in black labeled "smoothed" and one in red labeled "raw"
September 27, 2025 at 5:01 PM
avogadro.cc
Thanks to a suggestion from a user, we've been working on some tweaks to the draw tool...

Now you can click on a hydrogen atom to change the element and the bond will grow longer or shrink as needed

Coming soon to the next release (or in a nightly build)
June 2, 2025 at 4:00 PM
avogadro.cc
What's this? 🤔

Working on something new... #opensource #compchem
Volumetric "cloud" rendering of highest occupied molecular orbital (HOMO) of benzene in Avogadro 2 Volumetric "cloud" rendering of highest occupied molecular orbital (HOMO) of caffeine in Avogadro 2
March 23, 2025 at 5:51 PM
avogadro.cc
We're starting off 2025 with a new release - 1.100

Highlights include new blur and fog rendering, faster orbital surfaces, return of the MO table, translucent balls-and-sticks, conformer properties, an improved molecular properties window, and more...

discuss.avogadro.cc/t/avogadro-1...
Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backbone Rendering of C60 fullerene with highest-occupied molecular orbital (HOMO) in translucent blue and red surfaces with a window listing all molecular orbitals, energies and rendering status Molecular properties window, listing molecule name (C60-Ih)[5,6]fullerene or C60 fullerene, molecular mass, chemical formula, number of atoms, number of bonds, net charge, net spin multiplicity, dipole moment (0.0), HOMO and LUMO orbital energies in eV
January 22, 2025 at 2:28 PM
avogadro.cc
In the meantime, enjoy some nice screenshots of work-in-progress... #compchem
Screenshot of Avogadro 1.100 showing molecular orbital list and lowest unoccupied molecular orbital (LUMO) of benzene
December 27, 2024 at 8:14 PM
avogadro.cc
In honor of Black Friday in the US, we've got a special discount! Use "Open Source" and you can get Avogadro 1.99 for free!

Wait, you *never* need a discount code? It's #opensource and #openscience

Visit two.avogadro.cc and discuss.avogadro.cc to see what we've been doing for Avogadro v2.
Screenshot from Avogadro showing a C60 buckminsterfullerene cage with a translucent sodium atom inside Screenshot of a zirconacene catalyst with zirconium atom marked as "Zr" surrounded by a translucent van der Waals sphere illustrating the size of the metal atom and its interaction with the ligands
November 30, 2024 at 12:33 AM
avogadro.cc
We're back with a new release! 🎉

Highlights include improved force field optimizations, faster surfaces & orbitals, vibration spectra plots, and new tool icons, plus dozens of bug fixes, features, and new script plugins

discuss.avogadro.cc/t/avogadro-1...
Molecular depiction of caffeine including solvent accessible surface Calculated vibrational spectra of caffeine
February 11, 2024 at 1:25 AM
avogadro.cc
We're happy to announce v1.98, the latest beta of Avogadro2, including piles of new features and bug fixes, including support for 3Dconnexion devices on Windows and Mac #compchem

Lots more - see: discuss.avogadro.cc/t/avogadro-1...
Image of gold nanoparticle showing real-time shadows on atom spheres Image of molecule showing dashed lines between close contacts - non-bonded interactions Image of DNA base pair showing dashed blue lines representing hydrogen bonds
November 3, 2023 at 1:59 PM