Rowan Newsletter

MSA, Protein–Ligand Binding Affinity Exploration, and Stereochemistry

MSA-related occurrences and our incident postmortem; MSA server coming soon; exploring new approaches to binding-affinity prediction; a farewell to…

Aug 22 • 

Ari Wagen

, 

Corin Wagen

, and 

Spencer Schneider

4

1

Projects: Organization, Sharing, and Saving Structures

better organization through projects; saving structures; usage tracking; new conf. search features; second-order SCF; ex. API repo; SMILES imports; a…

Aug 14 • 

Ari Wagen

, 

Spencer Schneider

, 

Corin Wagen

, and 

Jonathon Vandezande

4

July 2025

Computational Chemistry in the Classroom

chemical modeling; Diels–Alder; call for more labs

Jul 31 • 

Jonathon Vandezande

 and 

Isaiah Sippel

8

API v2, New BDE Methods, MCP, And More

new API philosophy; streamlined interfaces for workflows; using NNPs and g-xTB to predict bond strength; an MCP server; .sdf files; benchmarking…

Jul 21 • 

Ishaan Ganti

, 

Isaiah Sippel

, 

Spencer Schneider

, 

Corin Wagen

, 

Ari Wagen

, and 

Jonathon Vandezande

3

June 2025

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

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

4

BREAKING: Boltz-2 Now Live On Rowan

(Apologies for the repeat email today!)

Jun 6 • 

Corin Wagen

, 

Spencer Schneider

, and 

Ari Wagen

4

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

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

2

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

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

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