PhD student | Drug-Target Interactions | GNN | DL | Data splitting | chess player | running | climbing | swimming | movies
Saarbrücken, Saarland, Germany
Joined January 2022
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Roman Joeres retweeted
Research in Nature Communications suggests that Atlantic grey seal milk rivals human breast milk in sugar complexity. These findings challenge the previously held assumption that human milk is uniquely complex amongst mammals. go.nature.com/4ilLGic
ALT Grey seal mother nursing a pup on the Isle of May, Scotland Credit: P. Pomeroy SMRU
Roman Joeres retweeted
The MLSB workshop will be in San Diego, CA (co-located with NeurIPS) this year for its 6th edition in December 🧬🔬
Stay tuned @workshopmlsb as we share details about the stellar lineup of speakers, the official call for papers, and other announcements!🌟
Roman Joeres retweeted
Strong opinion: The shift from topological data analysis (TDA) to topological deep learning (TDL) parallels the evolution from signal processing to deep learning, moving from feature extraction on raw data to learning hierarchical abstractions from latent representations.
Roman Joeres retweeted
glycowork v1.4 is live! 🥳🟢🟦🟦
Development always continues but we want this to be maximally useful for the entire glyco-community, so let us know if you have a feedback (or if you want to contribute:-) ) #glycotime
github.com/BojarLab/glycowor…
Roman Joeres retweeted
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Chemistry with one half to David Baker “for computational protein design” and the other half jointly to Demis Hassabis and John M. Jumper “for protein structure prediction.”
Roman Joeres retweeted
Watch out for our new sticker at upcoming conferences:D Gotta get onto all of your laptops (or phones, I don't judge)
#glycotime
Roman Joeres retweeted
Explainable diagnostic fragments for O-glycans! A huge+diverse dataset, a bit of machine learning, and you get potent/exhaustive/generalizable rules that analysts can follow to annotate isomers & attach quantitative confidence scores to their annotation:-)
biorxiv.org/content/10.1101/…
Roman Joeres retweeted
In our latest @naturemethods perspective we provide 7 questions on how to detect data leakage in biological #MachineLearning applications. @judith_bernett @dbblumenthal @bit_tumcs @FloHasee @RomanJoeres @itisalist @TU_Muenchen #TUMCS #HSWT rdcu.be/dQuw1
Roman Joeres retweeted
A Perspective from @itisalist @judith_bernett @RomanJoeres @ok55991 @FloHasee @dg_grimm @bit_tumcs & @dbblumenthal discusses the issue of data leakage in machine learning models and presents 7 questions to identify and avoid problems as a result. nature.com/articles/s41592-0…
Roman Joeres retweeted
Our Focus on AI includes a series of Perspectives that discuss cutting-edge computational advances, but also best practices, risks and potential pitfalls.
Roman Joeres retweeted
Meet CandyCrunch, our AI-glycomics model featured in @naturemethods! Trained on 500k spectra for rapid glycomics analysis on all glycan types.
@ElisaTelisa, @CallumMIves, @karlsson_niclas, @_jurban
More data=better models, so keep on uploading! #glycotime
nature.com/articles/s41592-0…
Roman Joeres retweeted
Demis -- I think AlphaFold3 is really exciting. As Reviewer #3, I got great results from the server. I tried hard to get @Nature to urge you to release the code but was unsuccessful. I did not get it for re-review so I don't know if you responded. So why no code? @GoogleDeepMind
Thrilled to announce AlphaFold 3 which can predict the structures and interactions of nearly all of life’s molecules with state-of-the-art accuracy including proteins, DNA and RNA. Biology is a complex dynamical system so modeling interactions is crucial blog.google/technology/ai/go…
Roman Joeres retweeted
Wow. Wow. Wow.
Incredible powerful message (incredible speech writing)—to those who stumbled on the wrong path and may ruin their future for not knowing the past.
The weight of history
Roman Joeres retweeted
Today, I presented the newest version of DataSAIL fighting bad #splits of #datasets in biological #MachineLearning.
It was a nice experience and discussions @gcb2023 @desy in #Hamburg
The preprint is coming soon. Stay tuned.
Roman Joeres retweeted
glycowork is updated to v0.7 (& close to 10k total downloads)! More than 100 commits since the last update, including lots of new and/or improved functionality, as well as updated data of course. Highlights below; full picture in the release notes
github.com/BojarLab/glycowor…
Roman Joeres retweeted
Nature has an open-access fee (APC) = $11,690 (€9,750).
Same goes for Nature Materials, Nature Chemistry, Nature Physics, etc...
#AcademicTwitter #phdchat #research
Roman Joeres retweeted
4) Thanks to @RomanJoeres & GlyLES, glycowork can now convert glycans into SMILES strings. We use this internally to annotate all kinds of molecular properties (either via get_molecular_properties or in all annotation functions with the feature_set flag 'chemical')
