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cs.LG2025
sHGCN: Simplified hyperbolic graph convolutional neural networks
Pol Arévalo, Alexis Molina, Álvaro Ciudad
Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embedd…
cs.LG2024★ 1 cited
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…