Ångström AI

Replace wetlab experiments with Gen AI molecular simulations

[Laurence Midgley @SilkyDogfish]

Alongside experimental screening, computational characterisation of possible crystal forms is an important way for pharma companies to mitigate these risks. See this video by @veritasium for an awesome explanation of the importance of crystal polymorphism: https://t.co/AEfMbVOOQc 3/5

[Laurence Midgley @SilkyDogfish]

Super excited to release our paper from a collaboration between @Angstrom_ai and @AstraZeneca evaluating our new model CSP-MACE-Å, a machine learning interatomic potential intended to replace DFT in crystal structure prediction (CSP)! https://t.co/4EcoHBljYm 🧵1/5

[Ferenc Huszár @fhuszar]

@jjh @Angstrom_ai I actually considered including a 'lean cracked' easter egg in this thread...

[Ferenc Huszár @fhuszar]

I made my first ever investment in a startup, @Angstrom_ai

They build on ML surrogate models to enable cost-effective simulation of molecular properties (e.g. solubility or binding) in pharmacologically relevant settings. A very hard technical problem that this team might crack.

[Fondo.com @Fondocom]

🚀 @Angstrom_ai launched! Replace wetlab experiments with Gen AI molecular simulations

"Accelerating molecular simulation using generative AI" ⚡️

🌐 https://t.co/UkgIVzTXEP

🧪 Ångström AI builds fast and experimentally accurate generative AI-based simulations of molecular interactions for pharma and biotech companies 💊

💡 These simulations can determine whether a drug is going to bind to a protein or how quickly a drug will act once it is consumed by a patient. The simulations obey the laws of physics, avoiding the hallucinations seen in other GenAI technologies.

✅ Compute free energy differences, binding conformations & hydration sites, with ab initio accuracy, orders of magnitude faster than traditional simulations.

📊 Quantum mechanically accurate models of physics + generative AI that allows them to run these models quickly: Their models generate states consistent with physics, but the transitions between states are non-physical and significantly faster. Diffusion models accelerate MACE simulations, making them computationally affordable.

🔬 To start off they are focusing on providing experimentally accurate estimates of solubility, which is important for determining the bioavailability of drugs. Poor solubility causes many computationally designed drugs to fail experimental validation!

🧠 They have successfully sped up Supercool water & Hydrating methane: These are the first-ever GenAI-accelerated, physically accurate molecular dynamics simulations incorporating the interaction of many molecules. Ångström AI has published the first molecule water solubility results with accuracy within the error range of wet lab experiments.

🗓 Interested in a demo? Reach out and book a call!

👥 Have friends who work in pharma or biotech interested in computational methods? Make the intro!

Congrats on the launch @JaviAC7, @SilkyDogfish, @jmhernandez233, & Gabor Csanyi!!

https://t.co/nK94GOVrxR

[Laurence Midgley @SilkyDogfish]

Super stoked to be building accelerated molecular simulations at @Angstrom_ai with @JaviAC7 @jmhernandez233 and Gabor Csanyi!

We combine experimentally accurate force fields (MACE) with accelerated sampling using generative models. To start off we are focusing on providing experimentally accurate estimates of solubility, which is important for determining the bioavailability of drugs. Poor solubility causes many ML designed drugs to fail experimental validation!

[Javier Antorán @JaviAC7]

Super excited to announce @Angstrom_ai, our startup using Gen AI to build fast and experimentally accurate simulations of molecular interactions together with @SilkyDogfish, @jmhernandez233 and Gabor Csanyi.
We are backed by @ycombinator!
See below for a simulation demo (1/3)🧵.

[Y Combinator @ycombinator]

YC S24's @Angstrom_ai builds fast and experimentally accurate Gen AI simulations of molecular interactions, replacing wet lab experiments in the drug development pipeline.

https://t.co/at6pjcyFJ4

Congraats on the launch, @JaviAC7, @SilkyDogfish, and @jmhernandez233!