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Very happy to see our work on extracting synthesis actions from experimental procedures published in Nature Communications!

Our rotationally covariant actor-critic for 3D molecular design is out! Come to our poster on Dec 12 #ML4Molecules NeurIPS Conference to learn how our RL agent exploits the symmetries of the design process. arxiv.org/abs/2011.12747 w/ Robert Pinsler, Gábor Csányi and Jose Miguel Hernández-Lobato

ML for molecular design needs to move beyond graphs! Check out our new blog post to learn how we use reinforcement learning and quantum chemistry to build molecules directly in Cartesian coordinates: mlg-blog.com/2021/04/30/rei… w/ Gregor Simm Sounds cool? Talk to us at #ICLR2021.

We're excited to present our paper "Symmetry-Aware Actor-Critic for 3D Molecular Design" at #ICLR2021 w/ Gregor Simm, Gábor Csányi, Jose Miguel Hernández-Lobato Join us: Monday, 3 May 2021, 17:00-19:00 (GMT+1) at iclr.cc/virtual/2021/p… ICYMI, check out our blog post: mlg-blog.com/2021/04/30/rei…

Microsoft Research announces AI4Science, a new global team of machine learning, quantum physics, computational chemistry, molecular biology, fluid dynamics, and software engineering experts working to tackle important societal challenges. Learn more: msft.it/6016bIoWj

DOCKSTRING: Easy Molecular #Docking Yields Better Benchmarks for Ligand Design #DrugDesign #DrugDiscovery pubs.acs.org/doi/10.1021/ac… Miguel Machuqueiro Gregor Simm Austin Tripp Jose Miguel Hernández-Lobato @AndreasBenderUK #current_issue #JCIM #MachineLearning #DeepLearning

We have a new opening for a senior research engineer in our AI4Science team Microsoft Research in Amsterdam: careers.microsoft.com/us/en/job/1440… Please spread the word and apply if you're interested!

Join Microsoft Research lab in Amsterdam! We look for a senior researcher with expertise in method development (theory & implementation) in electronic structure (DFT/1RDMFT and/or ab initio methods). Deep science in a great collaborative environment! #compchem careers.microsoft.com/us/en/job/1446…

Excited to opensource PDEArena: a modern, scalable PDE surrogate learning framework. With over 20 models and many different PDE tasks. Blog: microsoft.com/en-us/research… Website: microsoft.github.io/pdearena/ Paper: arxiv.org/abs/2209.15616 Authors: Jayesh K. Gupta, Johannes Brandstetter 1/n

Happy that we can finally share our codebase. Thanks to Jayesh K. Gupta and David Ruhe :) Geometric layers will be included soon. microsoft.github.io/cliffordlayers/

For those of you interested in molecular design, our docking package "dockstring" is now easier to install than ever! Just type "conda install -c conda-forge dockstring" or "pip install dockstring" to start calculating docking scores! Gregor Simm Jose Miguel Hernández-Lobato

Interested in accelerating scientific discovery with AI? Join our interdisciplinary global team! Two exciting opportunities for engineers: Amsterdam or Berlin: jobs.careers.microsoft.com/global/en/job/… Beijing: jobs.careers.microsoft.com/global/en/job/…

📢New internship opening at AI4Science in Amsterdam or Berlin!📢 For our interdisciplinary team working on electronic structure and deep learning, we are looking for someone to join us and work on synthetic data generation and curation. Please apply here! jobs.careers.microsoft.com/global/en/job/…

[1/N] Generative AI has revolutionized how we create text and images. How about designing novel materials? We at Microsoft Research #AI4Science are thrilled to announce MatterGen: our generative model that enables broad property-guided materials design. 👇 arxiv.org/abs/2312.03687

Excited to introduce Aurora: a foundation model of the atmosphere.  In <1min, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform SOTA classical simulation tools and the best specialized deep learning models… 1/n

We are looking for a senior ML engineer to help the team push the boundaries of scientific innovation. Please apply if you are passionate about building new and impactful solutions #buidl #ai4science #aiforscience #chemjob #ai4chemistry #ai4materials jobs.careers.microsoft.com/global/en/job/…