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Join the Plenary Panel at IEEE Services on 7/12 on "Discovery Technology Foundations and Open Science" with Ahmet Erdemir Cleveland Clinic, Alexy Khrabrov Alexy 🤍💙🤍, Ernesto Damiani ernesto damiani, and @johnrsmithmm (moderating) conferences.computer.org/services/2022/… #AcceleratedDiscovery

Selective bond formation by atom manipulation. Published in a good journal today, science.org/doi/10.1126/sc…

Great new work by Francesco Tacchino Oriol Kiss, Sofia Vallecorsa and Ivano Tavernelli IBM Research ETH Physics ETH Zurich CERN Quantum Technology Initiative (CERN QTI) CERN - 'Quantum #neuralnetworks #forcefields generation' - bit.ly/3uUvooR #quantum #machinelearning #compchem #materials #AI #algorithms

We are excited to be at #ACSFall2022 with 7 contributions from the Accelerated Discovery team in IBM Research Zurich covering a full range of topics. I could not be prouder of all of them. Virtual or in person, don't miss their contributions at #ACSChicago, details in the 🧵 1/8

On 08.24 at 09:40 CDT, Jannis Born (Jannis Born) will present "Guiding multistep retrosynthesis planning with continuous pathway representations". Federico Zipoli and Jannis did a THING: a string method for chemical reactions to create human grade retrosynthesis. Bar rises. 6/8

and finally on 08.25, Jannis (Jannis Born) doubles down with "Regression transformer: Concurrent property prediction and conditional molecular generation". Pre-print: arxiv.org/abs/2202.01338 8/8

Last.. if you are in Chicago come and say hi to Alain Vaucher or myself. With additional 29 talks from IBM Research and 2 booths in the expo area (one on Quantum Computing and the other on Accelerated Discovery), we look forward to engage with the vibrant community of #ACSFall2022.

Teodoro Laino from IBM Research opens the Swiss Chemical Society Fall Meeting 2022 #fallmeeting22 UZH Chemistry with his Sandmeyer Award Lecture ‚Fueling the Digital Chemistry Revolution with Language Models‘,

Outstanding presentations by Teodoro Laino (Sandmeyer Award) and Xile Hu 胡喜乐 (Green & Sustainable Chemistry Award) to kick off the Swiss Chemical Society Fall meeting. Great to be back in person!

𝗖𝗔𝗠𝗣𝗜𝗢𝗡𝗜 𝗗𝗘𝗟 𝗠𝗢𝗡𝗗𝗢! 🥳 Tripudio #ItaliaTeam a Katowice, l’Italia supera la Polonia 3-1! #MWCH2022 | Federvolley ⭐️⭐️⭐️⭐️⭐️

And so it came to pass A twist in the plot What known to be optimal Might sometimes be not A fine rainy day to stay in the house and read about a tale of Johnson and Lindenstrauss Long story short, our paper was accepted in NeurIPS 2022.

The Swiss Chemical Society Science Night was stunning. IBM Research was awarded with the Sandmeyer Prize for the multi-years efforts in digitalizing chemistry. It took sweat, determination and hard work: kudos to all of you friends. I am privileged to work with you. Who’s who ? 1/2

Left to right: Alek Sobczyk Alain Vaucher Alessandra Toniato Philippe Schwaller (he/him) me Théophile Gaudin Matteo Manica Federico Zipoli @Heiko62153785 Amol Thakkar 2/2

Congrats! .IBM RoboRXN team receiving the #SandmeyerPrize2022 "for their important scientific breakthrough in the digitalization of synthetic organic chemistry that helps to improve digital workflows with state-of-the-art machine learning technologies." - #AI #Science

This week we released "Unbiasing Retrosynthesis Language Models with Disconnection Prompts" pre-print: chemrxiv.org/engage/chemrxi… code: github.com/rxn4chemistry/… Let's dive in! Thread 🧵 #compchem #MachineLearning #Chemistry #chemtwitter RXN for Chemistry

Our preprint on retrosynthesis models with boosted diversity is out! preprint: openreview.net/forum?id=Bmk_G… Check out the code at: github.com/rxn4chemistry/… . Open-source models are also available! 🙌 Alain Vaucher Philippe Schwaller (he/him) Teodoro Laino #compchem #MachineLearning #Chemistry RXN for Chemistry

Our review on catalyst deactivation is published in October's issue Nature Catalysis 👍👇 nature.com/articles/s4192…

I will have the pleasure to present a demo about our team's RXN for Chemistry and RoboRXN RXN for Chemistry. Teodoro Laino Alain Vaucher Alessandra Toniato Oliver Schilter Amol Thakkar Anuv Miruna Cretu Joris Cadow Yves Gaetan Federico Zipoli Mark Martori Lopez Link: rxn.res.ibm.com

IBM and Meta launched a coalition of over 50 AI companies and research institutions that are pushing an open model of AI 🚀wsj.com/articles/meta-… via The Wall Street Journal

🚀 Excited to share our latest work on how language models can revolutionize the identification of enzymatic binding sites in protein sequences! Check it out here: sciencedirect.com/science/articl… 🧬 #LLM #Proteins #Biocatalysis #Enzyme