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Teodoro Laino
@teodorolaino
Research Scientist | Community success at | Twitting on AI, Chemistry, Aviation, Science and Dogs | 🏳️‍🌈 | He/Him | Views are my own
Europelinko.page/teoIBMJoined June 2011

Teodoro Laino’s Tweets

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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.
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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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📣 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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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
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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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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 😉
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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
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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
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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
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🚀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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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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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 in 👉🏻 doi.org/10.1039/D2DD00
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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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Stubborn like only Great Dane can be.. the 8 yo decided was time to enjoy the lake.. 🥶 chasing invisible spots (.. and ducks 🦆 as well 😂)
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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.”
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