Rowan Newsletter
Subscribe
Sign in
Home
Archive
About
Latest
Top
Discussions
g-xTB, Credit Usage, & More
the new g-xTB model from Grimme and co-workers; an easy visual overview of credit usage; better credit handling for organizations; bulk PDB download; a…
Jun 27
•
Jonathon Vandezande
,
Ari Wagen
,
Spencer Schneider
, and
Corin Wagen
5
Share this post
Rowan Newsletter
g-xTB, Credit Usage, & More
Copy link
Facebook
Email
Notes
More
Co-Folding Updates
Boltz-2 FAQ and launch event recap; new visuals for co-folding workflows; new submission options; PDB bugfixes; new credit-management tools
Jun 12
•
Ari Wagen
,
Spencer Schneider
, and
Corin Wagen
3
Share this post
Rowan Newsletter
Co-Folding Updates
Copy link
Facebook
Email
Notes
More
BREAKING: Boltz-2 Now Live On Rowan
(Apologies for the repeat email today!)
Jun 6
•
Corin Wagen
,
Spencer Schneider
, and
Ari Wagen
4
Share this post
Rowan Newsletter
BREAKING: Boltz-2 Now Live On Rowan
Copy link
Facebook
Email
Notes
More
Cleaning the Tap Room
beer and bezos; terms-of-service and privacy-policy updates; more deployment options; compliance requirements and country restrictions; a blog post…
Jun 6
•
Ari Wagen
and
Corin Wagen
Share this post
Rowan Newsletter
Cleaning the Tap Room
Copy link
Facebook
Email
Notes
More
May 2025
The OMol25/UMA Release
the benchmarks; how to run the models; what it means for chemistry and Rowan
May 23
•
Corin Wagen
and
Ari Wagen
9
Share this post
Rowan Newsletter
The OMol25/UMA Release
Copy link
Facebook
Email
Notes
More
Protein–Ligand Co-Folding
folding vs co-folding; free open-source models; running Boltz-1 and Chai-1 through Rowan; decentralized data generation with Macrocosmos
May 9
•
Spencer Schneider
,
Ari Wagen
, and
Corin Wagen
1
Share this post
Rowan Newsletter
Protein–Ligand Co-Folding
Copy link
Facebook
Email
Notes
More
April 2025
Introducing Egret-1
trusting computation; speed vs accuracy; Egret-1, Egret-1e, and Egret-1t; benchmarks; speed on CPU and GPU; download Egret-1 or use it through Rowan
Apr 30
•
Eli Mann
,
Corin Wagen
,
Jonathon Vandezande
,
Ari Wagen
, and
Spencer Schneider
6
Share this post
Rowan Newsletter
Introducing Egret-1
Copy link
Facebook
Email
Notes
More
Starling: Macroscopic pKa, logD, and Blood–Brain-Barrier Permeability
microscopic vs. macroscopic pKa; Uni-pKa and Starling; microstate ensembles; logD and Kp,uu predictions
Apr 25
•
Corin Wagen
and
Ari Wagen
4
Share this post
Rowan Newsletter
Starling: Macroscopic pKa, logD, and Blood–Brain-Barrier Permeability
Copy link
Facebook
Email
Notes
More
Predicting Infrared Spectra and Orb-v3
light and its manifold interactions with matter; why IR spectroscopy is useful; predicting IR spectra through Rowan; Orb-v3
Apr 17
•
Ari Wagen
,
Corin Wagen
, and
Jonathon Vandezande
2
Share this post
Rowan Newsletter
Predicting Infrared Spectra and Orb-v3
Copy link
Facebook
Email
Notes
More
2D Scans, More Fukui Options, & Max Concurrency
escape from scan-land; making More O'Ferrall–Jencks plots in Rowan; extending Fukui calculations to more levels of theory; managing large numbers of…
Apr 10
•
Corin Wagen
,
Ari Wagen
,
Spencer Schneider
, and
Jonathon Vandezande
2
Share this post
Rowan Newsletter
2D Scans, More Fukui Options, & Max Concurrency
Copy link
Facebook
Email
Notes
More
"Glitch Mode" and Concerted Scans
the longue durée history of human communication; today only, a new modality in scientific visualization; concerted scans
Apr 1
•
Corin Wagen
and
Ari Wagen
5
Share this post
Rowan Newsletter
"Glitch Mode" and Concerted Scans
Copy link
Facebook
Email
Notes
More
March 2025
Protein–Ligand Docking
critical contemplation of the merits and demerits of docking; unphysical poses and how to find them; machine learning offers a pragmatic solution…
Mar 14
•
Ari Wagen
,
Corin Wagen
, and
Spencer Schneider
9
Share this post
Rowan Newsletter
Protein–Ligand Docking
Copy link
Facebook
Email
Notes
More
8
Share
Copy link
Facebook
Email
Notes
More
This site requires JavaScript to run correctly. Please
turn on JavaScript
or unblock scripts
