Frank Noe
@franknoe.bsky.social
Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Pinned
Frank Noe
@franknoe.bsky.social
· Jul 10
BioEmu now published in @science.org !!
What is BioEmu? Check out this video:
youtu.be/LStKhWcL0VE?...
What is BioEmu? Check out this video:
youtu.be/LStKhWcL0VE?...
BioEmus in the government 🥳
November 13, 2025 at 5:58 PM
BioEmus in the government 🥳
Reposted by Frank Noe
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
February 26, 2025 at 9:45 AM
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
Reposted by Frank Noe
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...
nature.com
November 10, 2025 at 4:28 PM
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.
5 Italian plus one adopted. Buon compleanno @cecclementi.bsky.social
November 9, 2025 at 12:13 PM
5 Italian plus one adopted. Buon compleanno @cecclementi.bsky.social
Reposted by Frank Noe
(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
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
November 6, 2025 at 2:41 PM
(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
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
Lead a collaboration with drug discoverers. Orchestrate experimental data generation. Deploy BioEmu and other tools to understand biology at scale.
#Biology #Bioinformatics #CompBio #MachineLearning
October 28, 2025 at 10:57 PM
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
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
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
Search Jobs | Microsoft Careers
aka.ms
October 27, 2025 at 6:58 PM
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
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
Sadly overexposed, but still: yawning giant frogfish. In Permutaran, Bali. With @cecclementi.bsky.social and friends.
October 8, 2025 at 1:56 PM
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.
October 4, 2025 at 4:14 PM
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
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
Search Jobs | Microsoft Careers
aka.ms
October 1, 2025 at 4:08 PM
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
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
September 29, 2025 at 4:35 PM
Macro news from Bali. With @cecclementi.bsky.social
Reposted by Frank Noe
Big congratulations to Frank on receiving this year’s Hirschfelder Prize! Excited to welcome Frank and Cecilia to Madison in late Oct!
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 25, 2025 at 9:40 PM
Big congratulations to Frank on receiving this year’s Hirschfelder Prize! Excited to welcome Frank and Cecilia to Madison in late Oct!
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...
jobs.careers.microsoft.com/global/en/jo...
September 24, 2025 at 1:06 PM
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...
jobs.careers.microsoft.com/global/en/jo...
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...
jobs.careers.microsoft.com/global/en/jo...
September 24, 2025 at 12:59 PM
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...
jobs.careers.microsoft.com/global/en/jo...
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
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.
Tiny Frogfish. They always look like panicking...
With @cecclementi.bsky.social in Bali.
With @cecclementi.bsky.social in Bali.
September 20, 2025 at 3:18 PM
Tiny Frogfish. They always look like panicking...
With @cecclementi.bsky.social in Bali.
With @cecclementi.bsky.social in Bali.
Pigmyyyyys with @cecclementi.bsky.social
September 20, 2025 at 7:47 AM
Pigmyyyyys with @cecclementi.bsky.social
Mantis shrimp you say? How about 1000 mantis shrimps...
In Amed, Bali with @cecclementi.bsky.social
In Amed, Bali with @cecclementi.bsky.social
September 19, 2025 at 4:31 PM
Mantis shrimp you say? How about 1000 mantis shrimps...
In Amed, Bali with @cecclementi.bsky.social
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
September 17, 2025 at 4:12 PM
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
September 16, 2025 at 11:19 AM
Mantis shrimp at work in Amed, Bali - my best Mantis video yet - with @cecclementi.bsky.social
News from Bali with @cecclementi.bsky.social
September 13, 2025 at 4:13 PM
News from Bali with @cecclementi.bsky.social
Reposted by Frank Noe
We’re thrilled to share that Tian Xie, Principal Research Manager at Microsoft Research AI for Science, has been named to MIT Technology Review’s 2025 Innovators Under 35! Tian recently led the development of MatterGen, our generative AI model for materials discovery. msft.it/6010s9dse
September 8, 2025 at 6:01 PM
We’re thrilled to share that Tian Xie, Principal Research Manager at Microsoft Research AI for Science, has been named to MIT Technology Review’s 2025 Innovators Under 35! Tian recently led the development of MatterGen, our generative AI model for materials discovery. msft.it/6010s9dse
Eye of the mantis shrimp. Bali/Amed with @cecclementi.bsky.social
September 7, 2025 at 7:55 AM
Eye of the mantis shrimp. Bali/Amed with @cecclementi.bsky.social
First set of Bali 2025 diving photos with @cecclementi.bsky.social. Still warming up...
Small frog fish, sexy shrimp (don't blame me, that's their name), long-arm octopus and some sort of nudi branch.
Small frog fish, sexy shrimp (don't blame me, that's their name), long-arm octopus and some sort of nudi branch.
September 6, 2025 at 3:38 PM
First set of Bali 2025 diving photos with @cecclementi.bsky.social. Still warming up...
Small frog fish, sexy shrimp (don't blame me, that's their name), long-arm octopus and some sort of nudi branch.
Small frog fish, sexy shrimp (don't blame me, that's their name), long-arm octopus and some sort of nudi branch.