Marwin Segler
@marwinsegler
Followers
4K
Following
9K
Media
56
Statuses
2K
Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
UK
Joined November 2015
New chemical synthesis ML models: - modern Transformer & GNN to featurize chemical reactions - showing how to combine multiple models in a principled way - new insights in where the models shine - bonus: find the quirky named reaction! Feedback welcome! link in next tweet:
2
16
96
Last call. We will close the application to the following 2 jobs on 2025/11/03. Senior Researcher in Deep Learning: https://t.co/r7Q2vx1Son Senior Research Engineer on Data:
🚨We are hiring! 🚨 Want to join a highly talented, collaborative team and build the next frontier model for materials design? Apply to the following roles and join our materials team at @MSFTResearch AI for Science. Location can be Cambridge UK or Amsterdam NL or Berlin DE.
1
4
23
Multiple ML/AI roles available at https://t.co/jgDolM2K8Z focused on building atomistic foundation simulation models. If you’re in the market and interested in AI-infra\research engineering, or GenAI-research roles reinventing our understanding of matter and reasoning about
achira.ai
Building foundation simulation models for drug discovery
Achira is growing! We’re looking for talented software engineers, ML research engineers, and AI/ML scientists to join our team in building foundation simulation models to power the future of drug discovery. Apply at
1
8
25
Congrats to my colleagues Gregor, Lixin, and the entire team for the announcement of SimPoly! I cannot remember how many times I’ve been asked for a polymer MLFF from industrial partners, since there is no great solution yet. Code/data will be released soon. Check it out!
MLFFs 🤝 Polymers — SimPoly works! Our team at @MSFTResearch AI for Science is proud to present SimPoly (SIM-puh-lee) — a deep learning solution for polymer simulation. Polymeric materials are foundational to modern life—found in everything from the clothes we wear and the food
1
10
61
MLFFs 🤝 Polymers — SimPoly works! Our team at @MSFTResearch AI for Science is proud to present SimPoly (SIM-puh-lee) — a deep learning solution for polymer simulation. Polymeric materials are foundational to modern life—found in everything from the clothes we wear and the food
6
44
159
Join our team in Cambridge (UK), Berlin (DE), or Amsterdam (NL)!
🚨We are hiring! 🚨 Want to join a highly talented, collaborative team and build the next frontier model for materials design? Apply to the following roles and join our materials team at @MSFTResearch AI for Science. Location can be Cambridge UK or Amsterdam NL or Berlin DE.
0
2
7
Looking forward to this workshop on ML4molecules at the ELLIS unconference (followed by EurIPS). Please submit your abstracts! The deadline will be extended to 15 October 2025.
0
4
12
Promise & risk of AI in biology: We share in @ScienceMagazine our efforts to identify & mitigate DNA screening vulnerabilities. Grateful to a fabulous team of collaborators, across organizations.
lnkd.in
This link will take you to a page that’s not on LinkedIn
2
15
58
Sorry guys but when you pronounce it Feynman-Kak steering it is somewhat funny 😜
1
0
5
Applications for @MSFTResearch undergrad research internships for rising juniors and seniors are due Monday Oct 6! Apply to work with us in BioML 👉 https://t.co/QYjsdyEpRQ w/ @KevinKaichuang, @alexijielu, @lorin_crawford, Kristen Severson, @ntenenz, @SarahAlamdari, and more!
3
22
125
Call for Papers –Machine Learning for Simulations in Biology & Chemistry (Simbiochem) Workshop @ EurIPS 2025 📍 Copenhagen, Denmark (Dec 6th or 7th) 📅 Submission Deadline: 10th October, 2025 👉 Submit your paper: https://t.co/9ag80dBjHm Machine learning has transformed
0
6
9
Postdoc position available in the BioEmu team at @MSFTResearch AI for Science - Berlin DE or Cambridge UK. Looking for candidates with backgrounds in #MachineLearning #AI Biophysics or Bioinformatics https://t.co/DwGuTO1qlf
BioEmu now published in @ScienceMagazine !! What is BioEmu? Check out this video: https://t.co/PAj96iKvR7
3
19
61
AI may disrupt the pop music industry (is generating formulaic pop really the bottleneck though?), but I highly doubt any real music lover will want to go to a slop AI avatar concert. AI as an intentional creative tool is something different though, and here to stay.
0
0
4
Featured on the cover of @ScienceMagazine, BioEmu @MSFTResearch, a deep learning system that rapidly generates diverse protein conformations for accurate insights into protein function. Illustration: N. Burgess/Science; Data: S. Lewis et al., https://t.co/V0fRBX4EXc.
1
50
260
Preference for different models might also be related to “model sound”, similar to how a musician might prefer a Stratocaster or a Moog over a different, more modern guitar/synth.
If you have been following the GPT-5 rollout, one thing you might be noticing is how much of an attachment some people have to specific AI models. It feels different and stronger than the kinds of attachment people have had to previous kinds of technology (and so suddenly
1
0
1
After a 4-year journey, we are super happy to see this paper out in @NatureComms - @ElezKatarina et al: High-throughput molecular dynamics + active @machinelearning enable efficient identification of an experimentally-validated broad coronavirus inhibitor. https://t.co/Q3ioRNKnJP
nature.com
Nature Communications - Approaches making virtual and experimental screening more resource-efficient are vital for identifying effective inhibitors from a vast pool of potential drugs but remain...
2K
41
257
Scalable emulation of protein equilibrium ensembles with generative deep learning => now out in Science Magazine! https://t.co/n3mTu4mrQk
science.org
Following the sequence and structure revolutions, predicting functionally relevant protein structure changes at scale remains an outstanding challenge. We introduce BioEmu, a deep learning system...
1
9
50
DIMENSION is growing our research team! join @SimonDBarnett & @Bauer_LeSavage as we build the premier investment firm at the interface of tech & life sciences on the planet (pictured here taking notes in Arrakis). Worm spotting skills optional .. DMs open
5
10
95
For a short ML-focused introduction to this paper, I wrote a short blog post https://t.co/OU1G2olBgy (3/n)
ae-foster.github.io
We have just released Orbformer, a foundation model of molecular wavefunctions! This is a project I have been working on over the last two-and-a-bit years as part of an amazing team. This blog post...
0
5
13
Chemical accuracy with Deep Learning based DFT - #compchem
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT. ⚛️🔥🧪🧬
4
6
32