Yu Xie
yuxie.bsky.social
Yu Xie
@yuxie.bsky.social
Research Scientist @Microsoft AI for Science. Ph.D @Harvard, B.S. @PKU
Reposted by Yu Xie
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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aka.ms
October 1, 2025 at 4:08 PM
Reposted by Yu Xie
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...
September 24, 2025 at 1:06 PM
Reposted by Yu Xie
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.
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
September 24, 2025 at 5:16 AM
Reposted by Yu Xie
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...
September 24, 2025 at 12:59 PM
Reposted by Yu Xie
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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jobs.careers.microsoft.com
July 31, 2025 at 2:36 PM
Reposted by Yu Xie
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/...
July 10, 2025 at 6:10 PM
Reposted by Yu Xie
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...
June 18, 2025 at 10:08 AM
Reposted by Yu Xie
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 - microsoft/bioemu-benchmarks: Benchmarking code accompanying the release of `bioemu`
Benchmarking code accompanying the release of `bioemu` - microsoft/bioemu-benchmarks
github.com
February 21, 2025 at 3:49 PM
Reposted by Yu Xie
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...
February 20, 2025 at 3:30 PM
Reposted by Yu Xie
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...
February 19, 2025 at 8:17 PM
Reposted by Yu Xie
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...
Emulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu Xie
YouTube video by VantAI
www.youtube.com
February 17, 2025 at 9:23 AM
Reposted by Yu Xie
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...
December 6, 2024 at 8:39 AM