2 citations · 3 across the 7 of their papers we have counts for
3 papers · 1 filter
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…
Scoreformer: A Surrogate Model For Large-Scale Prediction of Docking Scores
Álvaro Ciudad, Adrián Morales-Pastor, Laura Malo +3
In this study, we present ScoreFormer, a novel graph transformer model designed to accurately predict molecular docking scores, thereby optimizing high-throughput virtual screening…
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…