building the arsenal of discovery for drugs & materials @RowanSci ✿ anti-gnostic
sandgem town
Joined November 2015
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ari wagen ✿ retweeted
While testing small-molecule cofactor support for FEP, I found that KRAS-G12D is a cool example of how adding synthetic intermediate ligands to the RBFE graph can improve correlation with experimental binding affinities!
labs.rowansci.com/public/fol…
ari wagen ✿ retweeted
Today we are excited to release Artios, a fully open source system for designing functional de novo enzymes.
Enzymes present a new frontier for de novo protein design models due to the challenge of coordinating precise chemistry, rather than binding a target.
Enzymes are life’s biological machines and by designing them we can truly start to engineer biology.
We believe these fundamental capabilities should be built in the open and shared with the community to progress science faster.
🧵 1/6
ari wagen ✿ retweeted
We're releasing a few changes today that can make FEP more accurate on Rowan.
Our new ligand-parameterization method, Mango, lower s energy errors and increases rank-correlation metrics on the standard 8-system FEP+ benchmark set:
at long last
our workplace @RowanSci needs an American flag
where can we get one that's high-quality & MiA?
@KTmBoyle @rmcentush @JoshuaSteinman @ADoricko @isaiah_p_taylor @zebulgar @shaunmmaguire @DiscipulusVent @johncoogan @jordihays @LukeFarritor @jacobrintamaki
nitter.cf/rosenthalzach1/status/…
ari wagen ✿ retweeted
1) Today we're announcing Atomwell, our state-of-the-art foundation model for predicting experimental outcomes, alongside scaling laws for molecular discovery.
We trained models from 800M to 9B parameters on ~80M experimental measurements, and found clean scaling laws in both model size and data.
ari wagen ✿ retweeted
New @RowanSci miniblog! A while ago, I ran some MD simulations of the daraxonrasib tri-complex system and ended up finding some very interesting hydration dynamics in the binding pockets.
Check it out: rowansci.com/blog/daraxonras…
ari wagen ✿ retweeted
I'm looking for technical scouts to find the world's best researchers whose dreams don't fit into academic lab- or venture capital-shaped boxes
It is, first and foremost, an ideas job. Flexible on work arrangement. Technical vision must be first-rate.
freaktakes.com/p/help-wanted…
ari wagen ✿ retweeted
We're launching a binding-affinity workflow today on Rowan!
This workflow provides a unified interface for running different pose-scoring methods: GNINA, AEV-PLIG, Nesso-1, and SQM 2.20/TAQO-style single-point scoring.
Testing different scoring methods is now trivial:
ari wagen ✿ retweeted
We're launching 30B-scale virtual screening at Rowan today in partnership with @onepot_ai.
By combining Rowan's high-throughput computational infrastructure with onepot's autonomous lab, we can go from target to experimental data in weeks, not months.
ari wagen ✿ retweeted
Rainmaker has raised $100M to become the world’s best lab for weather modification and atmospheric science.
Thank you @noavctech @upfrontvc @DCVC @lowercarbon @DreamVenturesVC and other visionary partners.
We are aggressively hiring and scaling our research org to create a flywheel of atmospheric data collection, synthesis, understanding, and intervention.
We will solve the weather and we will set the stage for the terraformation of Earth.
More in my essay below.
