5 citations · 6 across the 4 of their papers we have counts for
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cs.LG2024★ 5 cited
VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
Florian Sestak, Lisa Schneckenreiter, Johannes Brandstetter +3
Being able to identify regions within or around proteins, to which ligands can potentially bind, is an essential step to develop new drugs. Binding site identification methods can…
cs.LG2024★ 1 cited
GNN-VPA: A Variance-Preserving Aggregation Strategy for Graph Neural Networks
Lisa Schneckenreiter, Richard Freinschlag, Florian Sestak +3
Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of…