We just preprinted a fresh study on molecular machine learning on OOD molecules 🧠
Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns!
doi.org/10.26434/che...
#AI #chemistry
17.03.2025 14:52 — 👍 13 🔁 1 💬 0 📌 0
PhD student @ FU Berlin 🧑🏻💻 | Drug discovery, AI/ML & Structural bioinformatics
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dan maken we maar zin.
https://linktr.ee/debroervanroos
Host of Lex Fridman Podcast.
Interested in robots and humans.
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DOE IETS NIEUWS. STEM Volt! 💜
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comedian | talkshow host | writes jokes, books, music and to-do-lists | The Netherlands
Professor of Neurobiology & Ophthalmology at Stanford Medicine • Host of the Huberman Lab podcast • Focused on science & health research & public education
Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Interested in behavioural ecology, evolutionary biology, phylogenetics, population genomics and nature conservation | Someone who likes birds
AI @ OpenAI, Tesla, Stanford
Cheminformatics, ML, Drug Discovery
DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @VantAI
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
