RT @carlosgoliver: @rnaglib is at #ISMBECCB2025! Head over to Luis Wyss' poster tomorrow to learn how we opening RNA structures to deep lea…
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RNA Geometric Library
12 posts
RNA Geometric Library
@rnaglib
Toolkit for geometric deep learning on RNA 3D structures. Follow for support and updates.
Montreal Bergabung Şubat 2023
32 Mengikuti2 Pengikut
Happy to see more ML benchmarking methods for RNA from @NotinPascal !
While @rnaglib focuses on structure -> function;
RNAgym will be a great resource for sequence -> structure/fitness.
Pascal Notin@NotinPascal
🚨 New paper 🚨 RNA modeling just got its own Gym! 🏋️ Introducing RNAGym, large-scale benchmarks for RNA fitness and structure prediction. 🧵 1/9
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Very impressed by the automatic wiki for rnaglib from @cognition_labs !
deepwiki.com/cgoliver/rnagl…
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RNA Geometric Library me-retweet
.@RNAglib is now your best friend for building AI models of RNA structure-function.
To learn more, check out Luis Wyss' poster at @ai4na_workshop #ICLR25, "A Comprehensive Library for RNA Structure-Function Modeling":
When/where: morning poster session Monday, Apr 28th
Paper: arxiv.org/pdf/2503.21681
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RT @carlosgoliver: Big new upgrade for @rnaglib.
Our new 'Task' module supports benchmarking deep learning models of RNA 3D structures ef…
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Congrats, RNAmigos team! Glad I could be of help!
Carlos Oliver@carlosgoliver
Our latest efforts in AI-driven RNA drug discovery (RNAmigos2) have been published in Nature Communications. Blessed to have worked with such a talented team: @MalletVincent, J. Waldispühl, JG Patiño, et al. Paper: nature.com/articles/s4146… GitHub: github.com/cgoliver/rnami… Powered by: @rnaglib Takeaways: 1. We achieve 10,000x speedup over docking at similar accuracies + boost ligand diversity over docking alone. 2. New benchmark test generalization to new structures. 3. Successful zero-shot active enrichment on in-vitro assay. 4. Multi-modal data, self-supervision, and synthetic data are key. 5. Docking and AI models work well side-by-side if you have the budget.
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Many new features for AI model training and benchmarking coming soon. Stay tuned.
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RNA Geometric Library me-retweet
Agreed.
For rna-centric graph benchmarks (preprint soon): rnaglib.org
for protein-centric graph benchmarks: proteinshake.ai
Chaitanya K. Joshi@chaitjo
* Graph Learning Will Lose Relevance Due To Poor Benchmarks * Maya Bechler-Speicher, @benfinkelshtein, @ffabffrasca, Luis Muller, et al. Inc. @mmbronstein @phanein @michael_galkin @chrsmrrs Wow we should be discussing / acting on this!
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RNA Geometric Library me-retweet
Take out your agendas for the next #MunichRNA18S!
📍@HelmholtzMunich
📅18/09 15h
Come hear the amazing science from Gheo (Engelhardt's group @TU_Muenchen), David (@theNiessingLabs), Imesha (Lamb's group @LMU_Muenchen), Marc Schmidt-Supprian (TUM), and @carlosgoliver!
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