Rowan Newsletter
Ari Wagen, Corin Wagen, Eli Mann, Jonathon Vandezande, Spencer Schneider, Zachary Fried, Raphael Stone, Nick CasettiRowan is building modern computational tools for chemistry.
| Platform |  | Pricing | Only free issues | Publishes | Weekly |
|---|---|---|---|---|---|
| Issues | 73 | Founded | 3 years ago | Last Issue | 8 days ago |
| Active | |||||
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rowansci.substack.comLatest Issues
Symmetry, X-Ray Diffraction (XRD), Band Structures, and Elastic Tensors
Wedding Supper, Martin Van Meytens (1763)
Molecules and materials often contain atoms that are identical except for rotations, translations, or reflections. Identifying these symmetry elements is useful for understanding the properties of...
openconf and other Open-Source Projects
De Grote Markt van Haarlem tijdens een feestelijke gebeurtenis, Cornelius Beert (c. 1680)
Rowan is a business that’s enabled by open-source scientific code. Packages like the RDKit, xTB, GPU4PySCF, and TMD (among others) are core to what w...
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...
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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
Nick is currently a computational chemistry intern at Rowan and a PhD candidate at MIT in Connor Coley's lab
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