Toolkit for geometric deep learning on RNA 3D structures. Follow for support and updates.
Montreal
Joined February 2023
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RT @carlosgoliver: @rnaglib is at #ISMBECCB2025! Head over to Luis Wyss' poster tomorrow to learn how we opening RNA structures to deep lea…
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.
Very impressed by the automatic wiki for rnaglib from @cognition_labs !
deepwiki.com/cgoliver/rnagli…
RNA Geometric Library retweeted
.@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
RT @carlosgoliver: Big new upgrade for @rnaglib.
Our new 'Task' module supports benchmarking deep learning models of RNA 3D structures ef…
Congrats, RNAmigos team! Glad I could be of help!
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/s41467-0…
GitHub: github.com/cgoliver/rnamigos…
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.
There's a new version of this post
RNA Geometric Library retweeted
Agreed.
For rna-centric graph benchmarks (preprint soon): rnaglib.org
for protein-centric graph benchmarks: proteinshake.ai
* 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!
RNA Geometric Library retweeted
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!
