life sciences | DevOps, ML, Data Science @IBMResearch | Views are my own | He/him/his
Joined June 2016
- Tweets189
- Following368
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Joris Cadow retweeted
🚀 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/ar…
🧬 #LLM #Proteins #Biocatalysis #Enzyme
Joris Cadow retweeted
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: doi.org/10.1002/ail2.91
Joris Cadow retweeted
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: ibm.biz/nmr_to_struc
@acvaucher @FedericoZipoli @IBMResearch
Joris Cadow retweeted
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 doi.org/10.26434/chemrxiv-20… @IBMResearch @SchwallerGroup
Joris Cadow retweeted
📢 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
Joris Cadow retweeted
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
ibm.biz/srf_rxn_md
Joris Cadow retweeted
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 😉
Joris Cadow retweeted
🚀 Exciting news! Our paper on GT4SD has been published in @Nature_NPJ Computational Materials! Learn more about it here: doi.org/10.1038/s41524-023-0….
Try it out:
GitHub - github.com/GT4SD/gt4sd-core
Demo apps on HF Spaces - huggingface.co/GT4SD
Joris Cadow retweeted
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
Joris Cadow retweeted
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🧵ibm.biz/rtnmi23
Joris Cadow retweeted
SkyPilot
SkyPilot is a framework for easily running machine learning workloads on any cloud through a unified interface.
github.com/skypilot-org/skyp…
Joris Cadow retweeted
Our preprint on retrosynthesis models with boosted diversity is out!
preprint: openreview.net/forum?id=Bmk_…
Check out the code at: github.com/rxn4chemistry/rxn… . Open-source models are also available! 🙌
@acvaucher @pschwllr @teodorolaino #compchem #MachineLearning #Chemistry
@ForRxn
Congrats Vincent!
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.
Joris Cadow retweeted
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
Joris Cadow retweeted
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 retweeted
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: opensource.science/accelerat…
News in 🧵
Joris Cadow retweeted
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
How generative models are driving accelerated discovery @VentureBeat @taryn_plumb bit.ly/3qvuGw1 @IBMResearch @drugilsberg @JohnRSmithMM #opensource #DEVCommunity #AI
Joris Cadow retweeted
#IBM Research has released the #opensource library Generative Toolkit for Scientific Discovery. The toolkit includes various generative models that can be used to accelerate the generation of hypotheses and the discovery process as a whole. venturebeat.com/2022/03/23/h…
Joris Cadow retweeted
Kudos to the whole @IBMResearch extended team that made this possible.
Learn more about our research in the blog post.
Check out the repo to learn how to use GT4SD and contribute to it: github.com/GT4SD/gt4sd-core
Say 👋 to IBM GT4SD: a new, open-source library offering state-of-the-art generative modeling algorithms to enable seamless creation of discovery workflows.
Create with us.🪄🖥️👩🔬 ibm.co/3u0K44C
Joris Cadow retweeted
Thrilled to have started as an assistant professor at @EPFL with @SchwallerGroup today - for scientific updates consider following our group account ⬇️
Today's our first day. We are excited to start this new adventure at @EPFL_CHEM_Tweet/@EPFL_en.
What's your best advice for a #NewPI (-> @pschwllr)?
#compchem #chemtwitter
