Search Results for author: Florian Sestak

Found 2 papers, 2 papers with code

VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification

2 code implementations10 Apr 2024 Florian Sestak, Lisa Schneckenreiter, Johannes Brandstetter, Sepp Hochreiter, Andreas Mayr, Günter Klambauer

However, the performance of GNNs at binding site identification is still limited potentially due to the lack of dedicated nodes that model hidden geometric entities, such as binding pockets.

Trajectory Prediction

GNN-VPA: A Variance-Preserving Aggregation Strategy for Graph Neural Networks

1 code implementation7 Mar 2024 Lisa Schneckenreiter, Richard Freinschlag, Florian Sestak, Johannes Brandstetter, Günter Klambauer, Andreas Mayr

Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling.

Drug Discovery

Cannot find the paper you are looking for? You can Submit a new open access paper.