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Introducing ATOMICA 💫 A model to universally represent molecular interactions (for proteins, nucleic acids, small molecules, and ions) at an all-atom scale 🧵
Antibody loops are hard to model but crucial for antibody design. We show that introducing special tokens for these loops improves AI models 🚀. Our tokenizer, Igloo, learns multimodal tokens that capture sequence, structure, and similarity to other loops. Igloo can be used to:…
⏰ We’ve extended the deadline! There is still 1 day left to submit to the AI for Science Workshop Paper and Dataset Proposal Competition. Great to see so many scientists engaging with the AI community and sending in their dataset ideas 🤝 #NeurIPS2025 @NeurIPSConf…
The AI4Science workshop @NeurIPSConf is hosting a dataset proposal competition with a $10K USD prize pool! Submit a 2 page proposal for a dataset you'd like to create and why. Thanks to @AdaFang_ & the organizers for making this happen! More info and link below👇
NEW: We love a good ideation competition, and this is on a question that @tkalil2050 loves asking researchers: “what is your dream AI dataset that, if it existed, could underpin a technical breakthrough like AlphaFold.” Details:
Data is everything. We need more data to unlock the next scientific breakthroughs with AI. Here’s how we’re addressing this at NeurIPS. With a $10,000 prize pool to get it started. 🧵 @NeurIPSConf @AI_for_Science @RenPhil21 #NeurIPS2025
Taking ATOMICA to the wetlab has been a lot of fun! Excited to announce in our updated preprint we validate predicted dark proteome binders to heme 🧪🧬 Thanks to Michael Desgagné, Bradley L. Pentelute, and Joseph Loscalzo!
Trained on 2M+ interaction complexes, ATOMICA learns atomic-to-molecular embeddings of interaction interfaces @AdaFang_ In the latest preprint: 🎯 Wetlab tests of AI predictions: Experimental validation confirms heme binding for 5 ATOMICA-predicted sites in uncharacterized…
🌍 Excited to open up our global evaluation of AI for drug decision-making and therapeutic reasoning @GaoShanghua Want to shape the future of therapeutic AI, from understanding existing medicines to developing new treatments for diseases with limited options? Start here:…
Want to learn more about ATOMICA? Join the Multiomics Reading Group this Wednesday at 11 am, where I will be sharing more about our preprint!
⏰20th Multiomics RG Talk by @AdaFang_ on this Wednesday 11am-12pm EST, Jun 18th Affiliation: Harvard University Talk: ATOMICA: Learning Universal Representations of Intermolecular Interactions Paper Link: biorxiv.org/content/10.110… Meeting Link: meet.google.com/bvv-fcdn-rxm
Swapped the peace and quiet of Boston for the hustle and bustle of NYC🗽 I’m spending my summer at @PrescientDesign @genentech working on antibody design methods with AI 🧬 If you’re in NYC and want to chat about AI x biology feel free to DM me!
New in the Kempner's Deeper Learning blog: @AdaFang_ and @marinkazitnik introduce ATOMICA, a geometric foundation model that enables reasoning about biological systems with atom-level precision. bit.ly/KempnerATOMICA #AI #ML #MedTech
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