Avogadro Project

We just released Avogadro 2.1 🎉 Dozens of new features, bug fixes - based on feedback from many of you. Faster orbital rendering, z-matrix editor, polymer builder … 🧪 ⚗️ avogadro.cc/install/ discuss.avogadro.cc/t/avogadro-2-1-0-release/7559 #opensource #openscience #compchem

Some things, for example accessibility in software like @avogadro.cc can be improved (e.g., picking colors carefully) I'm not sure how to describe a screen image of a molecule, polymer, nanoparticle, protein, etc. discuss.avogadro.cc/t/accessibil...

What's this? Avogadro2 in a web browser?! #compchem #opensource #prototype

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

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

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

A few weeks ago, I posted for the 2026 Avogadro Community Feedback Survey. Over 50 people responded, and several wrote multi-paragraph responses! I posted a summary to the forum and I want to include a few notes for #compchem discuss.avogadro.cc/t/avogadro-2...

Do you use Avogadro? We'd like some feedback: No personal information is required - just a few minutes #compchem #chemsky forms.gle/FqNo8xe9KMPH...

Do you use Avogadro? We'd like some feedback: No personal information is required - just a few minutes #compchem #chemsky forms.gle/FqNo8xe9KMPH...

Avogadro now has over 25 Python plugins for: - input generation for common programs - partial charges and electrostatics - reading and writing file formats through cclib - forcefields and ML potentials - building and analysis commands What are some tools you'd like to see? #compchem

We're still working... @geoffhutchison.net reports on new speedups coming in v2.1 scheduled for June 02 (6/02 in the states 😉) - 20-25x faster orbital and density calculations - 6-8x faster geometry optimizations using an adaptive FIRE+L-BFGS method discuss.avogadro.cc/t/may-2026-d... #compchem

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

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

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

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

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

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

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

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

Avogadro 2.0 drops April 1st — and no, that's not a joke! 🧪⚗️ Now's the perfect time to help improve translations before release. Every language matters for chemistry worldwide. #opensource #openscience hosted.weblate.org/engage/avoga...

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?

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

Has @avogadro.cc helped your research? Teaching? As we prepare Avogadro 2.0 for release this spring, I'm hoping to feature some stories (and citations). #compchem #opensource #openscience ⚗️ Let me know: discuss.avogadro.cc/t/avogadro-s...

Obviously a lot is going on (gestures widely) Amid chaos, I cope by doing *something* -- anything. Lately, it's been coding for @avogadro.cc because it feels like some small change I can do myself For *years* I've wanted to show electron density volumes .. little clouds ☁️☁️ #compchem

We are aiming for a release of Avogadro 2.0 on 06-Feb (06/02 😉) If you are running into bugs or problems, please report them soon! #compchem discuss.avogadro.cc

We just passed 3M downloads worldwide! 🎉 🎉 Thanks to all our users - it's been a great start and we look forward to more great things to come! #chemsky #compchemsky

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We just uploaded a video showing off the new template tool, building up triphenyl phosphine oxide. You can easily add atoms with specific geometries, and click to add functional groups. We include over 150 with 2D previews. Suggestions always welcome: discuss.avogadro.cc youtu.be/RC4NZp6nnD8

We've been starting up some tutorial videos on Avogadro2 🎬🍿 www.youtube.com/@AvogadroPro... What topics would you like us to cover? Let us know over at discuss.avogadro.cc #compchem #chemsky

It's 10-23 day! So we decided to make a new release: - AutoOptimize Tool 🎉 - New charts and spectra - Easier geometry constraints, including for ORCA input - Plenty of bug fixes and tweaks discuss.avogadro.cc/t/avogadro-1...

It's 10-23 day! So we decided to make a new release: - AutoOptimize Tool 🎉 - New charts and spectra - Easier geometry constraints, including for ORCA input - Plenty of bug fixes and tweaks discuss.avogadro.cc/t/avogadro-1...

Do you use Windows? We're now on the Windows app store: We will now offer signed MSIX packages with releases, in addition to the traditional installer. apps.microsoft.com/detail/9n21v... Let us know how it works at discuss.avogadro.cc

Tested out some water clusters during lunch. - MMFF94 has point charges and hydrogen bonds - UFF does not (so water molecules push apart) At some point I'll add some simple dynamics… #compchem #compchemsky

If you've been wondering about the status of the AutoOptimize interactive optimization in Avogadro2 - coming later this month 👀

👀 Coming soon...

We've got a new release 1.101, which should particularly fix some bugs with Windows and Mac, and of course a variety of new features. Highlights include support for constraints for geometry optimizations, tweaking bond lengths when changing elements, and more... discuss.avogadro.cc/t/avogadro-1...

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)

To be clear, volumetric rendering of molecular orbitals, electron density, etc. will soon be available: discuss.avogadro.cc/t/volumetric... Colors are configurable...

What's this? 🤔 Working on something new... #opensource #compchem

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...

We're finishing up a new release, but trying to track down some bugs 🪲 #compchem Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc

I wrote up a 2024 Year in Review for @avogadro.cc 🧪⚗️ #opensource #chemsky In short, the community is amazing. Significant translations into 17 languages including 🇭🇷🇫🇷🇭🇺🇰🇷🇷🇴🇪🇸Tamil, 🇺🇦🇨🇳🇬🇪🇩🇪🇯🇵🇵🇹🇧🇷🇷🇸🇹🇷 .. and of course dozens of features and bug fixes discuss.avogadro.cc/t/2024-year-...

We've got a "Cyber Monday" special discount too! Download a nightly build today 🧪 #chemsky

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.