iiinova — where your digital self keeps evolving

Justin Smith

@justinsmith.bsky.social

947 followers 260 following 3 posts

AI for chemistry and materials @ NVIDIA. Views and opinions expressed are my own.

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Reposted by Justin Smith

John Chodera @jchodera.bsky.social · 21/02/2025

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

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Reposted by Justin Smith

Achira @achira-ai.bsky.social · 21/02/2025

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

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Justin Smith @justinsmith.bsky.social · 02/12/2024

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!

pubs.acs.org

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...

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Reposted by Justin Smith

Anthony Costa @anthonybcosta.bsky.social · 01/12/2024

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!

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Reposted by Justin Smith

Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social · 18/11/2024

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!)

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