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Avogadro Project @avogadro.cc · 24/09/2026

Hmm, what's this? discuss.avogadro.cc/t/need-feedb...

Screenshot indicating two water molecules. Oxygen atoms are indicated with #1 and #4 symbols, with a panel on the left side indicating measurements, such as Distance 1-2 0.958 A, Distance 2-3 2.000 A, etc. allowing editing to change the distances and angles...

Avogadro Project @avogadro.cc · 11/09/2026

We've been working on an internal-coordinate / z-matrix editor. How should we name it? #compchem (Keep in mind we need to translate into multiple languages) 1️⃣ Z-Matrix Editor 2️⃣ Internal Coordinate Editor 📊 Show results

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Avogadro Project @avogadro.cc · 07/04/2026

One week of Avogadro 2.0 highlights - and we're just getting started… Download: avogadro.cc/install/ Join the community: discuss.avogadro.cc Thanks to everyone who helped make this release happen. Open science is a team effort! Got ideas on where to go next? 🧪 ⚗️ #opensource #openscience #compchem

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Avogadro Project @avogadro.cc · 06/04/2026

Avogadro 2.0 isn't just a viewer and editor — it's an extensible platform for chemistry A plugin system lets you add ML & electrostatic models, new builders and tools. Already over 20 available… Build the tools you need: avogadro.cc/develop/plug... #avogadro #openscience #compchem #opensource

Screenshot of "Manage Plugins" window in Avogadro2, including over 20 plugins. A table shows several plugins including generators, RDKit, cclib, build-ase, xtb, aimnet2, genice2, TurtleMol, multicharge, antechamber, chiraltube, etc. with a README on the right hand side and buttons to search, install from a local directory, remove selected, and install / update selected

Screenshot of an example plugin for Chiraltube, indicating n, m values, number of repeats, and material, with MoS2 selected and the generated nanotube in the background with yellow spheres for sulfur atoms and turquoise spheres for Mo atoms

Screenshot of ORCA input generator, showing Basic, SCF, Basis, and Electronic Property tabs, and input file text.

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Avogadro Project @avogadro.cc · 05/04/2026

Sometimes you just want to see a molecule move. Run a quick MD simulation without leaving Avogadro — no scripts, no setup. The new auto-optimize tool includes a dynamics mode. Watch it move in real time. Great for teaching. Great for intuition. Just fun to watch. #openscience #compchem #opensource

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Avogadro Project @avogadro.cc · 04/04/2026

Visualize molecular orbitals and electron density easily with Avogadro 2.0. Volumetric rendering of orbitals, plus van der Waals, solvent-accessible and solvent-excluded surfaces for biomolecular work. See the chemistry, not just the atoms. #compchem #openscience #opensource

Volumetric rendering of the highest occupied molecular orbital (HOMO) of pentacene. Yellow and blue indicate opposite phases of the wavefunction, with color intensity indicating the magnitude of the wavefunction

Van der Waals molecular surface of coronene, with overlaid electrostatic potential map: red = more negative charge, blue = more positive charge

Rendering of the highest occupied molecular orbital (HOMO) of pyrazine

Rendering of a graphene supercell with solvent-accessible surface (green) indicating a defect site with a hydrogen molecule and overlay of electrostatic potential (blue = more positive, red = more negative)

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Avogadro Project @avogadro.cc · 03/04/2026

Inorganic and organometallic chemists — Avogadro 2.0 is for you... A new template tool lets you build octahedral, tetrahedral, and other complexes in seconds. Click to add functional groups. Avogadro also detects symmetry and displays symmetry elements #compchem #openscience #opensource

Rendering of Ziegler–Natta zirconium catalyst with blue-green translucent sphere representing the Zr atom, and ball-and-stick rendering of cyclopentadienyl (Cp) rings and methyl group

Screenshot of Avogadro 2 template tool, indicating a tab for Element: Formal Charge: and the options for Coordination selected, with options 1: Linear, 2: Linear, 3: Trigonal Planar, 4: Tetrahedral, 4: Square Planar, 5: Trigonal Bipyramidal, 5: Square Pyramidal, 6: Octahedral, 6: Trigonal Prism, 7: Pentagonal Bipyramidal, 8: Square Antiprism

Ball and stick rendering of chlorophyll c2 molecule with larger green sphere representing the Mg(II) ion

Screenshot of symmetric (D5d) ferrocene with rotation axes illustrated as red cylinders. Orange sphere is an iron atom, and grey-white cylinders indicate the cyclopentadienyl ligands. Dialog text indicates D5d symmetry, tabs for "Molecule", "Operations", "Subgroups" with operations active, indicating a table of symmetry elements, classes, and element. At the bottom of the dialog is Tolerance: Normal and a button "Detect Symmetry"

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Avogadro Project @avogadro.cc · 02/04/2026

Avogadro 2.0's rendering was rebuilt for modern GPUs. Smooth even with tens of thousands of atoms. Real-time shadows and ambient occlusion give depth and clarity — and a new layer system lets you hide solvent, toggle styles, and focus on what matters. #opensource #openscience #compchem

Visualization of the COVID spike protein 6vxx with real-time shadows in Avogadro2 to give depth effects. All hydrogen atoms are hidden. Grey spheres are carbon atoms, red spheres are oxygen, blue spheres are nitrogen, and yellow spheres are sulfur atoms.

Screenshot from Avogadro showing a C₆₀ buckminsterfullerene cage with a translucent purple sodium atom inside

Screen rendering of a zeolite supercell showing shadows and depth blurring. Brown spheres are silicon atoms and red spheres are oxygen atoms

Rendering of a protein surrounded by a solvation sphere of water in wireframe view (using red-white lines to indicate the water molecules)

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Avogadro Project @avogadro.cc · 01/04/2026

No fooling, Avogadro 2.0.0 is finally here! Rebuilt from the ground up: fast modern rendering, improved stability, designed for the next generation of molecular, biomolecule, and materials research & education. 🧪 ⚗️ avogadro.cc/install/ discuss.avogadro.cc #opensource #openscience #compchem

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Avogadro Project @avogadro.cc · 30/03/2026

Something big is coming on 1 April – and no, it's not a joke. 🧪 ⚗️ #opensource #openscience #compchem

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Avogadro Project @avogadro.cc · 10/03/2026

Coming soon in Avogadro 2.0… 👀 Loadable energy plugins, including ML (ANI, AIMNET, MACE …) and XTB (GFN-FF, GFN1, GFN2) Easy to add .. what models would you want to see?

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Avogadro Project @avogadro.cc · 09/03/2026

Coming soon... electrostatic model plugins 👀 #openscience #compchem

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Avogadro Project @avogadro.cc · 06/02/2026

It's 06-02, so a new release - v 1.103 Highlights include new volumetric rendering, faster orbital calculation, return of the peptide builder, new keyboard shortcuts to add functional groups and ligands, better support for open-shell orbitals, and much more... discuss.avogadro.cc/t/avogadro-1...

Volumetric rendering of LUMO (lowest unoccupied molecular orbital) of DyO2 molecule using Avogadro 1.103 with red and blue "clouds" representing the orbital density

Screenshot of Avogadro 1.103 with the peptide builder window open and a short oligopeptide helix in the background. The peptide builder has buttons representing different amino acids, secondary structure (alpha helix selected), phi and psi angles, and a sequence reading Ala-Ala-Ala-Ala-Ala-Ala-Ala-Ala

Screenshot of Avogadro 1.103 with a NO2 molecular orbital representing the beta-HOMO, as well as the molecular orbital window with a list of alpha and beta orbitals, orbital energy eigenvalues, and up and down arrows representing electron occupation

Screenshot of ball-and-stick representation of fmoc-protected glycine amino acid, with the fmoc protecting group highlighted in light blue after insertion with the template tool

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Avogadro Project @avogadro.cc · 06/10/2025

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

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Avogadro Project @avogadro.cc · 02/06/2025

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)

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Avogadro Project @avogadro.cc · 23/03/2025

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

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Avogadro Project @avogadro.cc · 22/01/2025

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

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Avogadro Project @avogadro.cc · 27/12/2024

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

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Avogadro Project @avogadro.cc · 30/11/2024

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

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Avogadro Project @avogadro.cc · 11/02/2024

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

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Avogadro Project @avogadro.cc · 03/11/2023

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

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