xLSTM code released: tell us about your experience.

Exciting publication from my team! Utilizing diffusion models for Combinatorial Optimization. Idea is to denoise a random state to obtain a solution without any data. Cool new applications of diffusion models.

„Don‘t think about a pink elephant“

We have two postdoctoral positions available, to work in a collaboration between Frank Noe and my group at Freie Universität Berlin on the development of machine-learned coarse-grained protein models. Please email [email protected] if interested.

MatterSim is now the SOTA in matbench discovery! It is becoming more clear that data scaling, especially diverse data, is the key to broad applicability of universal MLFFs. Check out paper in more detail: arxiv.org/abs/2405.04967

We just make molecules that could be classified as lard 🥸

And if you want to build things with related techniques, we have various openings for PhDs, but now also with FAIRmat fairmat-nfdi.eu/jobs/Generativ…

The final version of 3DReact (née EquiReact) is out! Here: pubs.acs.org/doi/10.1021/ac…. Ksenia Briling Charlotte Bunne Vignesh Ram Somnath Rubén Laplaza Andreas Krause clemence corminboeuf NCCR Catalysis ! vs the preprint, discussion on InReact vs EquiReact: do we need equivariance for current rxn datasets?

🚀We're hiring! Join us as a Research Associate to develop cutting-edge ab initio methods for Machine Learning applications at Uni of New England. Work on our beautiful campus or remotely. Email me! See: une.edu.au/jobs-at-une/cu… #postdoc #compchem #machinelearning #ozchem Pls RT :-)

Join our workshop at #ICML2024 — a wonderful lineup of speakers and contributions 👇 ml4lms.bio

I'm excited to advertise a 3 year #PDRA post in autonomous optimisation in flow for pharmaceutical targets! Collab with Adam Clayton Prof Richard Bourne Lapkin Lab. More detail & apply via my.corehr.com/pls/coreportal… Closing date 5th Aug (23:30).

PDF position in Toronto at the interface of deep learning with Chris J. Maddison at Vector Institute and #compchem in my group at Structural Genomics Consortium (SGC). Develop novel approaches in hit-finding and hit-to-lead opt. Predictions are tested at the bench at Structural Genomics Consortium (SGC) bit.ly/3SvHXCU

Interested in developing & implementing a cutting edge #machinelearning strategy to support therapeutic development across multiple diseases and modalities? And work with a great team? This role in my team at DCS Vertex Pharmaceuticals is what you should consider vrtx.wd5.myworkdayjobs.com/Vertex_Careers…

“Thought Leaders” writing blogs & position papers about AI DD hype — AI DD researchers using DNNs productively since a decade without bothering to publish 😜

📢 Looking for Reviewers to help us with the AI4MAT Neurips '24 workshop! If you're working at the intersection of AI and Materials Science and are excited for future research, sign up here: ✍️ sites.google.com/view/ai4mat/ge… #NeurIPS2024 #AI4Mat

Introducing Neural Electron Real-space Density (NERD) models! 🧠 You’ve solved the electronic Schrödinger equation using PauliNet or Psiformer - what next? Important properties come from the 1-electron density (the marginal #MachineLearning) arxiv.org/abs/2409.01306

Spontaneously in Cambridge MA, any recommendations for what to do in the early evening?