Joris Cadow

life sciences | DevOps, ML, Data Science @IBMResearch | Views are my own | He/him/his

[Yves Gaetan @YvesGNT]

🚀 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: https://t.co/JjzzxdKSw8
🧬 #LLM #Proteins #Biocatalysis #Enzyme

[Oliver Schilter @OSchilter]

Introducing Clipboard-to-SMILES Converter: a macOS app for effortless conversion of screenshots into molecular structures (SMILES, SELFIES, etc.) right from your clipboard, complete with a convenient history feature!

Check out our paper and download it: https://t.co/gYmDT79ami

[Marvin Alberts @malberts99]

Check out our Preprint in @ChemRxiv on "Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models". We train models to directly predict the molecular structure from NMRs!
Paper: https://t.co/E0pb3PxdD9
@acvaucher @FedericoZipoli @IBMResearch

[Oliver Schilter @OSchilter]

If you are #ACSFall2023 and want to learn how we can utilize AI to predict the right solvent for a chemical reaction, check out my talk today at 3:10Pm at Nikko II - Hotel Nikko or read the preprint https://t.co/v30lB6ay8G @IBMResearch @SchwallerGroup

[Matteo Manica @drugilsberg]

📢 If you are attending ACS Fall 2023 in San Francisco and you want to know more about #LanguageModels applied to material design, stop by Nob Hill A - Marriot Marquis at 10:25AM today
@IBMResearch

[Jannis Born @JannisBorn]

Hört rein in den tollen @SRF Bericht über unsere Forschung zu molecular discovery mit AI!
Mit Erläuterungen von @acvaucher und mir zu #rxn (@ForRxn) und generativer AI.
Vielen Dank @DeniseJoder! @turiciencia @IBMResearch
https://t.co/qLanXph4fb

[Marvin Alberts @malberts99]

Check out this Video summarising my latest work in @ChemRxiv on predicting Molecular Structure from IR Spectra. @acvaucher @teodorolaino @IBMResearch

Paper: https://t.co/BqH5PPl0eh

Bonus points for those who know what the Molecule tastes like 😉

[Matteo Manica @drugilsberg]

🚀 Exciting news! Our paper on GT4SD has been published in @Nature_NPJ Computational Materials! Learn more about it here: https://t.co/bSca29tQrC.

Try it out:
GitHub - https://t.co/tDbkVyqVfp
Demo apps on HF Spaces - https://t.co/poB4jdZTsa

[Dimitrios Christofidellis @dim_chri]

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: https://t.co/PW5u8Fjjpy

[Jannis Born @JannisBorn]

Easter egg🥚in @NatMachIntell: 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🧵https://t.co/n2e3cuBfD4

[Python Hub @PythonHub]

SkyPilot

SkyPilot is a framework for easily running machine learning workloads on any cloud through a unified interface.

https://t.co/pjZkBfoO0y

[Alessandra Toniato @AlessToniato]

Our preprint on retrosynthesis models with boosted diversity is out!

preprint: https://t.co/osM5Q3EtDO

Check out the code at: https://t.co/kDd7v1nNIo . Open-source models are also available! 🙌

@acvaucher @pschwllr @teodorolaino #compchem #MachineLearning #Chemistry
@ForRxn

[Joris Cadow @tse_nit]

Congrats Vincent!

[Vincent Fortuin @vincefort.bsky.social @vincefort]

I'm beyond excited to announce that I will be starting my own research group @helmholtz_ai in Munich! I'm hiring PhD students and postdocs, so please share these opportunities widely within your circles. Details in thread.

[Teodoro Laino @teodorolaino]

The @SwissChemistry Science Night was stunning. @IBMResearch 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

[Teodoro Laino @teodorolaino]

We are excited to be at #ACSFall2022 with 7 contributions from the Accelerated Discovery team in @IBMResearch 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

[Joris Cadow @tse_nit]

@arXiv_Daily @JannisBorn @JohnRSmithMM Let's not forget the handle of the one and only @drugilsberg

[Matteo Manica @drugilsberg]

Some news around the Generative Toolkit for Scientific Discovery, a.k.a., GT4SD.

GT4SD is an open-source library to accelerate hypothesis generation in the scientific discovery process.

More details in this 2 minutes intro: https://t.co/gmiIRdKg0N

News in 🧵

[Joris Cadow @tse_nit]

@leocbezerra @vthorsteinsson @ramalhoorg @fluentpython x should be of type Iterable then.

[John R. Smith @JohnRSmithMM]

Science is built on questions. Generative models can help find answers. Check out the new open source Generative Toolkit for Scientific Discovery (GT4SD). @drugilsberg @KFWehden