iiinova — where your digital self keeps evolving

Gianni De Fabritiis @gdefabritiis.bsky.social · 10/09/2026

We use 1B tokens/day at Acellera, including input and cached tokens, so I’m curious how far local models can go. I tested 7 LLM + harness combinations on an IL-23 discovery task. A few surprises, including what one RTX 5090 could produce. Blog and docs: www.acellera.com/blog/beyond-...

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Gianni De Fabritiis @gdefabritiis.bsky.social · 22/10/2025

Preprint release 😀 of "Speak to a Protein," an AI co-scientist that facilitates data gathering and analysis in an interactive collaborative session. It is quite amazing to use. Preprint: arxiv.org/abs/2510.17826

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Reposted by Gianni De Fabritiis

PlayMolecule @playmolecule.com · 31/03/2025

📂 Stay organized while exploring molecules in open.playmolecule.com! Group them by clicking the Group button in the menu bar. Toggle the visibility of all systems in a group by clicking on it. Watch the video to see how grouping simplifies your molecular exploration!

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Reposted by Gianni De Fabritiis

PlayMolecule @playmolecule.com · 12/03/2025

🐍 Dive into molecule analysis with our Python terminal in open.playmolecule.com! Interact with loaded molecules using #Moleculekit. Execute Python code within the terminal to obtain information of your systems, apply filters, perform calculations, and more. Watch the demo!

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Gianni De Fabritiis @gdefabritiis.bsky.social · 09/12/2024

BricksRL at Neurips. I am not going this year, but don't miss our spotlight paper/poster on RL with Lego for robotics.

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Reposted by Gianni De Fabritiis

Frank Noe @franknoe.bsky.social · 06/12/2024

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science. www.biorxiv.org/content/10.1...

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Gianni De Fabritiis @gdefabritiis.bsky.social · 04/12/2024

ACEMD v4 is out with the integration of neural network potentials. More to come soon.

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Gianni De Fabritiis @gdefabritiis.bsky.social · 19/11/2024

AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein Thermodynamics A novel machine-learning-based force field for protein thermodynamics. It uses an all-heavy-atom approach without hydrogens to simplify simulations while maintaining key dynamics. pubs.acs.org/doi/10.1021/...

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Reposted by Gianni De Fabritiis

Willie Neiswanger @willieneis.bsky.social · 10/11/2024

I'm making a list of AI for Science researchers on bluesky — let me know if I missed you / if you'd like to join! go.bsky.app/AcP9Lix

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Reposted by Gianni De Fabritiis

Mark Riedl @markriedl.bsky.social · 18/11/2024

Raw Story's lawsuit against OpenAI for training on their news stories was dismissed by NYC court. Court said Raw Story didn't have standing because they couldn't prove injury venturebeat.com/ai/openais-d...

venturebeat.com

OpenAI’s data scraping wins big as Raw Story’s copyright lawsuit dismissed by NY court

The dismissal of Raw Story’s lawsuit is more than a win for OpenAI—it’s an indicator of how courts may handle similar copyright claims.

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Reposted by Gianni De Fabritiis

Marwin Segler @marwinsegler.bsky.social · 12/11/2024

go.bsky.app/Qc4frbt Made a starter pack for computational chemists, let me know who I missed please @jchodera.bsky.social @olexandr.bsky.social @jelfschem.bsky.social

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