Justin Smith

Excited to share what I’ve been working on with @tkaraletsos.bsky.social to transform the field of drug discovery with atomistic foundation simulation models!

I could not be more thrilled to be working with this dream team.

achira.ai

Achira is building atomistic foundation simulation models to power the future of drug discovery.

We are a team of machine learners, quantum chemists, engineers, and CADD practitioners united by the ambition to create a fundamentally new way of discovering therapeutic compounds.

achira.ai

Data Generation for Machine Learning Interatomic Potentials and Beyond The field of data-driven chemistry is undergoing an evolution, driven by innovations in machine learning models for predicting molecular properties and behavior. Recent strides in ML-based interatomic...

Our review paper, led by @maxim-k.bsky.social from Los Alamos National Lab, is now in @amerchemsociety.bsky.social Chemical Reviews! We dive into data-driven chemistry, focusing on quality training data for ML interatomic potentials. A must-read for computational chemistry and materials science!

You all have done some wonderful things curating a community while I’ve been lurking. There may be some phantom me accounts lying around in ways I can’t figure out to access anymore, but this is me for real, the one from NVIDIA interested in all things computing and digital bio!

Do you want the platform to crash and burn?

Two BioML starter packs now:

Pack 1: go.bsky.app/2VWBcCd
Pack 2: go.bsky.app/Bw84Hmc

DM if you want to be included (or nominate people who should be!)

Thanks for the welcome @olexandr.bsky.social !