4 citations · 5 across the 7 of their papers we have counts for
3 papers · 1 filter
Tensor-DTI: Enhancing Biomolecular Interaction Prediction with Contrastive Embedding Learning
Manel Gil-Sorribes, Júlia Vilalta-Mor, Isaac Filella-Mercè +4
Accurate drug-target interaction (DTI) prediction is essential for computational drug discovery, yet existing models often rely on single-modality predefined molecular descriptors…
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…
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…