Postdoc openings on experimental data integration integration into BioEmu-next, focusing on cryo-EM and binding affinities. Join us at @msftresearch.bsky.social Cambridge or Berlin. #AI #MachineLearning #Protein #Biology apply.careers.microsoft.com/careers/job/...

AI for Science Postdoctoral Researcher - Biomolecular AI & Experimental Data Integration | Microsoft Careers

Design and scale experimental datasets for ML Develop workflows that connect noisy experimental signals to actionable model insights 1. Bridging Models with Real-World Experimental Signals Develop met...

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Ever get tired of tiny timesteps bottlenecking your MD simulations? We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. 𝗡𝗼 𝗿𝗲𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝘁𝗿𝗮𝗷𝗲𝗰𝘁𝗼𝗿𝗶𝗲𝘀, 𝗻𝗼 𝘂𝗻𝗿𝗼𝗹𝗹𝗶𝗻𝗴, 𝗻𝗼 𝘁𝗲𝗮𝗰𝗵𝗲𝗿 needed! 🧵👇

Excited to share our latest preprint: 𝗟𝗲𝗮𝗿𝗻𝗶𝗻𝗴 𝗛𝗮𝗺𝗶𝗹𝘁𝗼𝗻𝗶𝗮𝗻 𝗙𝗹𝗼𝘄 𝗠𝗮𝗽𝘀: 𝗠𝗲𝗮𝗻 𝗙𝗹𝗼𝘄 𝗖𝗼𝗻𝘀𝗶𝘀𝘁𝗲𝗻𝗰𝘆 𝗳𝗼𝗿 𝗟𝗮𝗿𝗴𝗲-𝗧𝗶𝗺𝗲𝘀𝘁𝗲𝗽 𝗠𝗼𝗹𝗲𝗰𝘂𝗹𝗮𝗿 𝗗𝘆𝗻𝗮𝗺𝗶𝗰𝘀 🎉

Winfried Ripken@winfried-ripken.bsky.social · 6mo ago

Ever get tired of tiny timesteps bottlenecking your MD simulations? We show how to train a model for large-timestep Hamiltonian dynamics directly on standard MLFF datasets. 𝗡𝗼 𝗿𝗲𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝘁𝗿𝗮𝗷𝗲𝗰𝘁𝗼𝗿𝗶𝗲𝘀, 𝗻𝗼 𝘂𝗻𝗿𝗼𝗹𝗹𝗶𝗻𝗴, 𝗻𝗼 𝘁𝗲𝗮𝗰𝗵𝗲𝗿 needed! 🧵👇

New wetsuit! Next dive with @cecclementi.bsky.social can come.

Great new toy 🦈🐟🦑🦐 with @cecclementi.bsky.social

#MachineLearning researchers: Join us at @msftresearch.bsky.social #ArtificialIntelligence for Science to push the frontier of AI for molecular Biology or AI for Chemistry. Work with @marwinsegler.bsky.social or my team in Berlin, Cambridge or Amsterdam. apply.careers.microsoft.com/careers/job/...

Senior Machine Learning Researcher - MSR AI for Science | Microsoft Careers

Invent novel deep learning techniques for models of (bio)molecular structure, dynamics, reactivity and function. Design, implement, and iterate on model architectures and training algorithms (e.g., di...

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La familia 🇮🇹🤌 Boune feste.

Our 2025 nocino production with @cecclementi.bsky.social ❤️❤️❤️

Amazing Pannettone alla @cecclementi.bsky.social ❤️❤️❤️

BioEmus in the government 🥳

Meet @cecclementi.bsky.social, Einstein Prof. of Physics at @freieuniversitaet.bsky.social 🇩🇪. An ELLIS Fellow, she pioneers #AI4Science & is a member of #ELLISProgram ML for Molecule Discovery. Her research spans Biophysics & Theoretical/Chemical Physics. #WomenInELLIS

Our latest paper on the interpretation on Neural Network Potentials is now published on Nature Communications: nature.com/articles/s41.... Congratulations to Klara Bonneau, Jonas Lederer and all authors. In collaboration with Klaus-Robert Müller's group.

Peering inside the black box by learning the relevance of many-body functions in neural network potentials - Nature Communications

Machine-learned force fields are becoming increasingly popular but suffer from their “black-box” nature. Here the authors adapt explainable AI techniques to coarse-grained graph neural network potenti...

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5 Italian plus one adopted. Buon compleanno @cecclementi.bsky.social

(1/n) Can diffusion models simulate molecular dynamics instead of just generating independent samples? In our NeurIPS 2025 paper, we train energy-based diffusion models that can do both: - Generate independent samples - Learn the underlying potential 𝑼 🧵👇 Paper: arxiv.org/abs/2506.17139

Join us @msftresearch.bsky.social AI for Science - only open this week: aka.ms/bioemu-applied Lead a collaboration with drug discoverers. Orchestrate experimental data generation. Deploy BioEmu and other tools to understand biology at scale. #Biology #Bioinformatics #CompBio #MachineLearning

Last call - open til Oct 30! Are you excited about #MachineLearning and developing new architectures for Molecular Biology? Joint us for the next chapter of BioEmu at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK. aka.ms/bioemu-ml

Good morning!!

Sadly overexposed, but still: yawning giant frogfish. In Permutaran, Bali. With @cecclementi.bsky.social and friends.

My best leaf sheep yet. With @cecclementi.bsky.social in Amed, Bali.

Join our BioEmu project @msftresearch.bsky.social AI for Science. In Berlin DE or Cambridge UK: aka.ms/bioemu-ml - #MachineLearning Researcher aka.ms/bioemu-data - Data Engineer aka.ms/bioemu-applied - Applied Researcher aka.ms/bioemu-principal - Principal Applied Researcher

Macro news from Bali. With @cecclementi.bsky.social

Big congratulations to Frank on receiving this year’s Hirschfelder Prize! Excited to welcome Frank and Cecilia to Madison in late Oct!

Frank Noe@franknoe.bsky.social · 11mo ago

Thank you UW–Madison for this great honor! In 2016 I changed my group to AI4Science and went all-in on deep learning solutions for the molecular sciences. Best decision of my career in hindsight. Amazing what's become of that field - now AI for Science is a @msftresearch.bsky.social lab.

Postdoc position available in the BioEmu team at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK. Looking for candidates with backgrounds in #MachineLearning #AI Biophysics or Bioinformatics jobs.careers.microsoft.com/global/en/jo...

Frank Noe@franknoe.bsky.social · last yr.

BioEmu now published in @science.org !! What is BioEmu? Check out this video: youtu.be/LStKhWcL0VE?...

Want to join our BioEmu team in @msftresearch.bsky.social AI for Science as an Intern? Berlin DE or Cambridge UK are available. Preference for candidates at the end of their PhDs, but open for everything: jobs.careers.microsoft.com/global/en/jo...

Frank Noe@franknoe.bsky.social · last yr.

BioEmu now published in @science.org !! What is BioEmu? Check out this video: youtu.be/LStKhWcL0VE?...

Thank you UW–Madison for this great honor! In 2016 I changed my group to AI4Science and went all-in on deep learning solutions for the molecular sciences. Best decision of my career in hindsight. Amazing what's become of that field - now AI for Science is a @msftresearch.bsky.social lab.

Microsoft Research@msftresearch.bsky.social · 11mo ago

Congratulations to Frank Noé, Partner Research Manager at Microsoft Research AI for Science, who received the 2025–2026 Joseph O. Hirschfelder Prize in Theoretical Chemistry for pioneering contributions at the interface of AI and chemistry. msft.it/6015sqq4R

Tiny Frogfish. They always look like panicking... With @cecclementi.bsky.social in Bali.

Pigmyyyyys with @cecclementi.bsky.social

Mantis shrimp you say? How about 1000 mantis shrimps... In Amed, Bali with @cecclementi.bsky.social

Playing with focus bracketing. If you do super-macro shots, the focus plane becomes very thin, leading to only a small part of the subject to be in focus (e.g., the eye). Instead take many photos with different focus planes and blend them together in postprocessing. With @cecclementi.bsky.social

Mantis shrimp at work in Amed, Bali - my best Mantis video yet - with @cecclementi.bsky.social