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cs.LG2023
ICML 2023 Topological Deep Learning Challenge : Design and Results
Mathilde Papillon, Mustafa Hajij, Helen Jenne +53
This paper presents the computational challenge on topological deep learning that was hosted within the ICML 2023 Workshop on Topology and Geometry in Machine Learning. The competi…
cs.LG2022
High Performance of Gradient Boosting in Binding Affinity Prediction
Dmitrii Gavrilev, Nurlybek Amangeldiuly, Sergei Ivanov +1
Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to lea…