Come work with us at @msftresearch.bsky.social in the team behind MatterGen and MatterSim!

Check out BioEmu on Science! Huge congrats to @franknoe.bsky.social and the whole team!

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...

Very excited and proud of this incredible team effort!

🚀 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 ⚛️🔥🧪🧬

Thermal conductivity is critical in modern electronics, but in a post-Moore’s Law world, the need for novel structures that surpass the heat transfer properties of silicon is essential. Learn how AI is helping scientists discover these next-gen materials. msft.it/6013SnPAN

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...

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...

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...

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...

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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MatterGen now published in Nature 🔥 Very strong work from the materials team at MSR AI for Science!

Excited to finally announce the publication of MatterGen on Nature. MatterGen represents a new paradigm of materials design with generative AI. We are releasing the code of MatterGen under MIT license. Look forward to seeing how the community will use the tool and build on top of it.

Super excited to share that the MatterGen code is now public on GitHub! github.com/microsoft/ma...

Microsoft researchers introduce MatterGen, a model that can discover new materials tailored to specific needs—like efficient solar cells or CO2 recycling—advancing progress beyond trial-and-error experiments. www.microsoft.com/en-us/resear...

Excited to talk about MatterGen and MatterSim (now on GitHub!) today at the @cecamevents.bsky.social l workshop at CECAM-HQ in EPFL Lausanne. If you're interested, drop by at 11.15, or let's chat afterwards. 💻 github.com/microsoft/ma... 📄 arxiv.org/abs/2312.03687 📄📄 arxiv.org/abs/2405.04967

🚨Our Machine Learning Force Field Mattersim is now available! 🚨 Check it out here 👇 msft.it/6013oBZLt The force field is designed to be used on a vast range of temperatures and pressures, try it yourself :) Feedback and suggestions are very welcome!

“Expected Hierarchical Clustering” is at #NeurIPS2024! This would not have been possible without Marcel Kollovieh* who lead the project, @danielzuegner.bsky.social and Stephan Günnemann ! 1/4

👋Hi there, #Science & #AI/#ML @bsky.app! Finally left the dying birdsite for the bluer skies over here 🤩.

🎉Excited to announce major new breakthroughs in our Aurora foundation model! Our team (@cbodnar.com, @wessel.ai, @megstanley.bsky.social, @a-lucic.bsky.social, Anna Vaughan) has achieved unprecedented results across multiple Earth system forecasting tasks. Here's what's new... 🧵

We are glad to announce that we are releasing MatterSim-V1 for public use today. We look forward to hearing your feedback after trying out our models. We are actively working on developing more pre-trained models for MatterSim. Please stay tuned for updates.

Excited to present what we've been up to the last couple years. Introducing BioEmu, a Biomolecular Emulator of protein dynamics: www.biorxiv.org/content/10.1...

Check out BioEmu, the latest and greatest coming out of Microsoft Research AI for Science!