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Justin Smith

@justinsmith

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

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24.10.2023
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Latest posts by Justin Smith @justinsmith

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

21.02.2025 14:15 πŸ‘ 90 πŸ” 17 πŸ’¬ 9 πŸ“Œ 2
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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

21.02.2025 13:58 πŸ‘ 2 πŸ” 2 πŸ’¬ 1 πŸ“Œ 1
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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!

02.12.2024 19:22 πŸ‘ 6 πŸ” 3 πŸ’¬ 0 πŸ“Œ 0

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!

01.12.2024 20:56 πŸ‘ 10 πŸ” 1 πŸ’¬ 0 πŸ“Œ 0

Do you want the platform to crash and burn?

18.11.2024 19:54 πŸ‘ 1 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0

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!)

18.11.2024 17:09 πŸ‘ 119 πŸ” 56 πŸ’¬ 10 πŸ“Œ 11

Thanks for the welcome @olexandr.bsky.social !

24.10.2023 20:13 πŸ‘ 4 πŸ” 0 πŸ’¬ 0 πŸ“Œ 0