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Yu Xie

@yuxie.bsky.social
71 followers 28 following 0 posts

Research Scientist @Microsoft AI for Science. Ph.D @Harvard, B.S. @PKU

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Reposted by Yu Xie
Jan Hermann @hrmnn.net · 22/04/2026
Today we're sharing a major Skala update—new paper and model release. Skala is a deep-learning exchange-correlation functional for DFT that reaches 2.8 kcal/mol on GMTKN55, wins 32 of its 55 subsets, and leads on accuracy short of double hybrids at semi-local DFT cost
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Frank Noe @franknoe.bsky.social · 01/10/2025
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
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Search Jobs | Microsoft Careers
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Frank Noe @franknoe.bsky.social · 24/09/2025
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...
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Frank Noe @franknoe.bsky.social · 24/09/2025
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.
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Frank Noe @franknoe.bsky.social · 24/09/2025
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...
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Tian Xie @xie-tian.bsky.social · 31/07/2025
Want to join our efforts @msftresearch.bsky.social AI for Science to push the frontier of AI for materials? We are the team behind MatterGen & MatterSim and we have 2 job openings! Each can be in Amsterdam, NL, Berlin, DE, or Cambridge, UK.
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Microsoft Research @msftresearch.bsky.social · 10/07/2025
Today in the journal Science: BioEmu from Microsoft Research AI for Science. This generative deep learning method emulates protein equilibrium ensembles – key for understanding protein function at scale. www.science.org/doi/10.1126/...
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Microsoft Research @msftresearch.bsky.social · 18/06/2025
Microsoft researchers achieved a breakthrough in the accuracy of DFT, a method for predicting the properties of molecules and materials, by using deep learning. This work can lead to better batteries, green fertilizers, precision drug discovery, and more. www.microsoft.com/en-us/resear...
Alt Text: A dark blue, wavy surface with multiple colorful spheres placed on it. The spheres are in various colors including red, green, blue, yellow, purple, and orange. Each sphere is surrounded by small white particles that appear to be floating around them. The background is a gradient of dark teal to black.
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Frank Noe @franknoe.bsky.social · 21/02/2025
Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵 github.com/microsoft/bi...
github.com
GitHub - microsoft/bioemu-benchmarks: Benchmarking code accompanying the release of `bioemu`
Benchmarking code accompanying the release of `bioemu` - microsoft/bioemu-benchmarks
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Microsoft Research @msftresearch.bsky.social · 20/02/2025
Meet BioEmu-1 from Microsoft Research. This deep learning model can generate thousands of protein structures per hour, unlocking new possibilities for protein scientists and drug discovery and research. www.microsoft.com/en-us/resear...
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Frank Noe @franknoe.bsky.social · 19/02/2025
The BioEmu-1 model and inference code are now public under MIT license!!! Please go ahead, play with it and let us know if there are issues. github.com/microsoft/bi...
github.com
GitHub - microsoft/bioemu: Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning
Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning - microsoft/bioemu
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Frank Noe @franknoe.bsky.social · 17/02/2025
Check out this great BioEmu talk by @jjimenezluna.bsky.social and @yuxie.bsky.social in the VantAI lecture series. Thank you for hosting @mmbronstein.bsky.social @lucanaef.bsky.social www.youtube.com/watch?v=8vsT...
youtube.com
Emulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu Xie
YouTube video by VantAI
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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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