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This team is just insane, they have literal built an app stack that gives them the flexibility to take any compute engine and make in live within hours... very impressive Rowan gives you a very unique advantage in fast pace scenarios.

Xirtam Esrevni Rowan Somehow, the last release of Gaussian was in 2016 and somehow they still make money?? Rowan is doing way more interesting things.

Day 59: DFT benchmarks and XRD theory. did some calculations on Rowan time to learn more

Chai Discovery (Joshua Meier Chai Discovery) just released Chai-2, a model for "zero-shot antibody design in a 24-well plate." The most existing result? Chai-2 successfully generated binders for 50% of the 52 targets they assayed (100x better than SOTA)! Some thoughts below:

The past few years of "AI for life sciences" has been all about the models: AF3, NNPs, PLMs, binder generation, docking, co-folding, ADMET, &c. But Chai-2, and lots of related work, shows us that the vibes are shifting. Models themselves are becoming just a building block; the

research-to-product gap is massive in ai x science. feel like a lot of the startups and incumbents working on "automating" the scientific process fail to realize that productization is vital in reaching asi. the synthesis and validation problems all ai x science companies are

We've just posted new videos covering a variety of interesting topics: - Computing 2D potential-energy surfaces for Diels–Alder reactions - Running protein–ligand co-folding models - Modeling the effect of metabolism on blood–brain-barrier penetrance youtube.com/@RowanSci

Few know this, but Rowan hosts a free 2D/3D structure viewer and editor at labs.rowansci.com/editor. You can go from SMILES to .xyz, edit structures, change dihedrals, add a periodic cell, and download the final structure—all totally free, no account needed. Here's a quick demo:

In January, we released a workflow to quantify the strength of hydrogen-bond acceptors in complex molecules. Since then, lots of scientists have asked us "what about hydrogen-bond donors?" As of today, we've updated our paper and workflow to also compute donor strength:

Great to see Rowan's redox potential and Fukui-index calculations used to help with total synthesis. Congrats Matt Carson Kozlowski Lab and co-workers!

You can now download structures from Rowan as .sdf files, making it significantly easier to load outputs from Rowan into the rest of the ecosystem of life-science software! From a completed calculation, this takes just two clicks: