9 citations · 11 across the 4 of their papers we have counts for
3 papers · 1 filter
Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation
Júlia Vilalta-Mor, Alexis Molina, Laura Ortega Varga +2
Simultaneously optimizing molecules against multiple therapeutic targets remains a profound challenge in drug discovery, particularly due to sparse rewards and conflicting design c…
ICML Topological Deep Learning Challenge 2024: Beyond the Graph Domain
Guillermo Bernárdez, Lev Telyatnikov, Marco Montagna +70
This paper describes the 2nd edition of the ICML Topological Deep Learning Challenge that was hosted within the ICML 2024 ELLIS Workshop on Geometry-grounded Representation Learnin…
TopoBench: A Framework for Benchmarking Topological Deep Learning
Lev Telyatnikov, Guillermo Bernardez, Marco Montagna +34
This work introduces TopoBench, an open-source library designed to standardize benchmarking and accelerate research in topological deep learning (TDL). TopoBench decomposes TDL int…