Rowan Newsletter
Ari Wagen, Corin Wagen, Eli Mann, Jonathon Vandezande, Spencer Schneider, Zachary Fried, Raphael StoneRowan is building modern computational tools for chemistry.
| Platform |  | Pricing | Only free issues | Publishes | Weekly |
|---|---|---|---|---|---|
| Issues | 71 | Founded | 3 years ago | Last Issue | 9 days ago |
| Active | |||||
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rowansci.substack.comLatest Issues
OpenFold3 and Co-Folding with Templates
Children folding a paper crane by Isoda Koryūsai (1772)
OpenFold3
Today, we’re adding support for OpenFold3 (technically “OpenFold3-preview2”), an open-source reproduction of DeepMind’s AlphaFold-3 co-folding model developed by the Ope...
Quantum ESPRESSO & Academic FEP Access
Augenbetrüger-Stillleben, Samuel van Hoogstraten (c. 1666–1678)
We’re excited to be releasing plane-wave DFT for modeling periodic systems powered by Quantum ESPRESSO! We’re also expanding FEP access to all subscribing academic groups, and...
New Protein Visualizations
Protein–ligand complexes are great to explore in all their messy glory, but it can be hard to quickly answer basic questions like:
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How many hydrogen bonds does this pose form?
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Are there any salt bridges stabilizing this interactio...
Notes on Rowan Engineering; Or How to Vibe-Refactor a Codebase
The Ideal City, Carnevale (c. 1480–1484)
Eagle-eyed users of Rowan may have noticed some changes in our logfiles, and Substack readers may have noted a decrease in the number of new features that we’ve shipped recently. We have been in the...
Smarter Analogue Docking, Pocket Detection, and g-xTB Analytical Gradients
Rialto Bridge from the North, Canaletto (1726)
Today we’re launching a significantly improved version of our analogue-docking workflow, a new pocket-detection workflow, and the new g-xTB method with support for analytical gradients.
An...
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Authors
The writers behind this newsletter.
software for drugs & materials at Rowan, anti-gnostic
☧, husband/father, computational/organic chemist
Director of Computational Chemistry at RowanSci, building computational tools for all chemists, not just the experts.
Computational Chemist at Rowan
Materials Scientist
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