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Europelinko.page/teoIBMJoined June 2011

683 Following

1,717 Followers

Teodoro Laino’s Tweets

Pinned Tweet

Nov 18, 2020

Happy #LGBTQSTEMDay ! I’m Teo. A chemist 👨🏼‍🔬with passion for science, tech, aviation and space. Privileged to be a Research Scientist at

. Working together with a team of fantastic people to transform/digitalize chemistry: one piece of data at a time.

Marie Francine Lagadec

@MFLagadec

Jun 1

If you'd like to join the ranks of the 2022 Young Talents Fellowship recipients, you can still apply for a funded master thesis on sustainable chemistry & catalysis in one of the NCCR Catalysis member labs in 🇨🇭! #ChemTwitter ⏰ Applications close on June 30 ⏰ Details 👇🏻

Portraits of the six recipients of the 2022 NCCR Catalysis Young Talents Fellowship

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NCCR Catalysis

@NCCR_Catalysis

Apr 27

Apply now for an #NCCRCatalysis Young Talents Fellowship to conduct your funded master thesis project on sustainable chemistry & catalysis

within our member labs in

! Deadline is June 30 2023, see bit.ly/2023YoungTalen for more info. RTs much appreciated!

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Teodoro Laino and ScottLab

SRS

@SocRadiophSci

May 23

Snippets from one of the pre-symposium workshops on applications of AI in radiochemistry ☢️ #iSRS2023

Huck Group

@Huckgroup

May 22

Save the date: June 13 at 20.00 CET! For the 5th episode of the LNC with Wilhelm Huck Season 3, our guest is Teodoro Laino

, research scientist at

. He will be talking about #AI for digitisation of #chemistry! Free tickets/Youtube: linktr.ee/LateNightConfe

横山トモヤス｜計算材料科学者

@yoko_materialDX

May 21

IRスペクトルから分子構造を予測する論文。 IR分光法は手軽にできる分析ですが解釈が属人的でした。 63万スペクトルを計算で生成、トークン化し学習することでtop10のうち78％の精度で分子を予測できたそうです。スペクトル解析はすぐ役立つので早く進展してほしい。 doi.org/10.26434/chemr

365

Philippe Schwaller (he/him)

@pschwllr

May 19

Super cool work! Also, highlighted it as an excellent example how to publish data together with code on Zenodo in my AI for Chemistry course this morning. Congrats to the team (

)! doi.org/10.5281/zenodo

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Marvin Alberts

May 19

Check out this Video summarising my latest work in @ChemRxiv on predicting Molecular Structure from IR Spectra. @acvaucher @teodorolaino @IBMResearch Paper: ibm.biz/ir_to_struc Bonus points for those who know what the Molecule tastes like

0:39

799 views

Marvin Alberts

May 19

Check out this Video summarising my latest work in

@ChemRxiv

on predicting Molecular Structure from IR Spectra.

Paper: ibm.biz/ir_to_struc Bonus points for those who know what the Molecule tastes like 😉

Introducing a transformer model that analyzes the entire infrared spectrum to infer the structure of molecules. Tested on simulated data, our new model has the power of bringing high-end spectroscopic techniques to the masses when trained on real experimental data. 4/4

The missing piece was the elusive realm of the fingerprint region, which holds the key to molecular structure: each different compound produces a different pattern of troughs in this part of the spectrum. Decoding that region has been a challenge for human experts, until now. 3/4

Infrared Spectroscopy has long been overlooked. A Cinderella of spectroscopy, mostly used to confirm the presence of few functional groups with characteristic frequencies. Today, the winds of change blow in a different direction for IR spectra. 💨 2/4

🚀Brace yourself for a massive upgrade in common and affordable spectroscopy! Discover how we supercharge Infrared spectroscopy for structure elucidation tasks in this🧵 A fascinating proof of concept by

using simulated data. twitter.com/malberts99/sta 1/4

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Marvin Alberts

May 15

Very excited our Preprint “Leveraging Infrared Spectroscopy for Automated Structure Elucidation” is out. First of its kind model: Automatic Structure determination from IR spectra! Top-1 Accuracy of 45%! @acvaucher @teodorolaino @IBMResearch Paper: ibm.biz/ir_to_struc

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Paper: ibm.biz/ir_to_struc 🧵⬇️

Our team

used a VAE to predict binding energy & generate new catalysts from a latent representation of the catalyst space! 💻 Read the #compchem work by

👉🏻 doi.org/10.1039/D2DD00

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Oliver Schilter

@OSchilter

May 9

Explore our latest paper on designing catalysts using deep generative models and computational data. Discover how an RNN-VAE can generate new catalyst candidates for the Suzuki coupling. doi.org/10.1039/D2DD00 @IBMResearch @SchwallerGroup @acvaucher @pschwllr @teodorolaino

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Matteo Manica

@drugilsberg

May 3

🚀 Exciting news! Our paper on GT4SD has been published in

@Nature_NPJ

Computational Materials! Learn more about it here: doi.org/10.1038/s41524. Try it out: GitHub - github.com/GT4SD/gt4sd-co Demo apps on HF Spaces - huggingface.co/GT4SD

Dimitrios Christofidellis

@dim_chri

Apr 29

Our paper “Unifying Molecular and Textual Representations via Multi-task Language Modelling” got accepted at #ICML2023🎉🎉. This work presents Text+Chem T5, a multidomain/multitask LM for both the chemical and natural language domains. Try it out now: ibm.biz/textchemt5

Alessandra Toniato

@AlessToniato

Apr 26

Dad on duty with the babies tonight 👨‍🍼 Mama presenting poster at Virtual meeting #S23MRS If there, check our hybrid system where reaction network exploration can fill-in gaps for AI retrosynthesis (

Regression Transformer enables concurrent sequence regression and generation for molecular language...

Easter egg🥚in

: Regression Transformers! Sounds contradicting? Not to us! ➡️ SOTA performance in (bio)chemical regression tasks w/o regression heads. Pure MLM! The best: RT is dichotomous & also excels at conditional molecular generation🧵

nature.com

Nature Machine Intelligence - Transformer models are gaining increasing popularity in modelling natural language as they can produce human-sounding text by iteratively predicting the next word in a...

Chemical representation learning for toxicity prediction

Now out in

, our chemical language model for molecular property prediction: 1) Outperforms prior art 2) Validated on a large, proprietary tox. dataset 3) Reveals cytotoxic motifs via attention 4) Uses uncertainty to improve reliability 🧐pubs.rsc.org/en/content/art 🧵⬇️

pubs.rsc.org

Undesired toxicity is a major hindrance to drug discovery and largely responsible for high attrition rates in early stages. This calls for new, reliable, and interpretable molecular property predic...

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, and I are investigating the use of #AI to drive sustainability in the chemical industry. Our latest perspective showcases how AI can speed up discovery, predict impacts, optimize processes for a more sustainable future. doi.org/10.2533/chimia

and

are investigating the use of #ArtificialIntelligence to drive sustainability in the chemical industry doi.org/10.2533/chimia

Mar 28

Officially kicking off now, with lots amazing people.

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On my way to Luzern @NCCR_Catalysis retreat

twitter.com/catalysis_eth/…

Alain Vaucher

Mar 24

If you're at #ACSSpring2023 next week, consider attending some of the talks from our team! We will be presenting some of the work done at IBM Research Europe in the space of AI and chemistry. Here are the talk details: ibm.biz/acs-spring-2023 (1/3)

to celebrate the official opening of our #DiscoveryAccelerator for Healthcare, with the unveil of

@IBM

Quantum System One on site. #LetsCreate! #Quantum #healthcare #ibm

IBM Research

Mar 20

We’re excited to be on the ground in Cleveland, OH as we celebrate a key milestone in

@ClevelandClinic

and

@IBM

’s 10-year partnership. Who’s ready to see the fully installed IBM Quantum System One? 👀

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Miruna Cretu

@MirunaCretu2

Feb 23

Our review "Tools for Synthesis Planning, Automation, and Analytical Data Analysis" is out in

@CHIMIA_journal

! We discuss how a chemist's workflow can benefit from the current integration of AI in such tools. chimia.ch/chimia/article

issue 1/2 of 2023 is online! It features 'Artificial Intelligence in Chemical Research' and is guest edited by

and

@TorstenLuksch

All articles #openaccess chimia.ch/chimia/issue/v

Feb 19

Stubborn like only Great Dane can be.. the 8 yo decided was time to enjoy the lake.. 🥶 chasing invisible spots (.. and ducks 🦆 as well 😂)

Digital Chemistry Network

@DigitalChemNet

Feb 3

🚨1st Spring School on Digital Chemistry applied to Drug & Crop Protection Discovery. Les Diablerets (Switzerland) 16th-20th April, 2023 Program and Registration 👉

aisem23.scg.ch

Home

IBM Research and 2 others

Gabriella Greison

@GREISON_ANATOMY

Jan 19

I was invited to do my monologue on 1927 photography, the one called QUANTUM MONOLOGUE, at IBM, right in the place where today quantum physics is applied to levels of world excellence...in an auditorium with 400 people, an hour flew by. It was awesome! 👉 greisonanatomy.com/2023/01/18/mq-

Jan 18

The only and real Gabriella Greison

@GREISON_ANATOMY

! Amazing event. Thank you Gabriella 🙏

Prof. Emerita Lynn Conway to be inducted into National Inventors Hall of Fame

Lynn Conway

@lynnconway

Jan 10

Prof. Emerita Lynn Conway to be inducted into National Inventors Hall of Fame: “She is recognized for her role in transforming the global microelectronics industry with the invention of VLSI, or Very Large-Scale Integration.”

cse.engin.umich.edu

She is recognized for her role in transforming the global microelectronics industry with the invention of VLSI, or Very Large-Scale Integration.

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Machine Learning: Science and Technology

@MLSTjournal

Jan 3

NOW >22K DOWNLOADS!🥳'Prediction of chemical #reaction yields using #deeplearning' by

bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #Python #HPC #code

Jan Jensen and 9 others

Parrinello Group

@GroupParrinello

Dec 20, 2022

It has been a great pleasure to have

as a guest speaker here in Genova at

@IITalk

👨‍🏫 He shared with us some of the exciting applications of language models to chemistry that his group is working on at

⚗️

A dramatic sunset over the Alps 🤩

Lauren Gamp

@lauren_gamp

Dec 16, 2022

Love to see young scientists in the spotlight!

@cenmag

's Talented 12 nominations are open until Jan 17th 👀 Know someone who should be highlighted? I can think of more than a few candidates from

@NCCR_Catalysis

😉 Details on nominations available here 👇🏻 cen.acs.org/sections/Talen

NCCR Catalysis

@NCCR_Catalysis

Dec 12, 2022

We were pleased to celebrate with a team lunch today, before the holidays! While we missed co-director Jérôme Waser

@LcsoLab

, we were glad to have two of our Work Package coordinators join in 🎉

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Elon, please don’t mock and promote hate toward already marginalized and at-risk-of-violence members of the #LGBTQ+ community. They are real people with real feelings. Furthermore, Dr Fauci is a dedicated public servant whose sole motivation was saving lives.

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Elon Musk

@elonmusk

Dec 11, 2022

My pronouns are Prosecute/Fauci

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Machine Learning: Science and Technology

@MLSTjournal

Dec 10, 2022

See what's trending in

@MLSTjournal

right now at bit.ly/3Hqem9m featuring

#machinelearning #compchem #AI #HPC

Google DeepMind and 8 others