Günter Klambauer
Johannes Kepler Universität Linz
H-index: 38
Europe-Austria
Top articles of Günter Klambauer
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A community effort in SARS‐CoV‐2 drug discovery | Molecular Informatics | Johannes Schimunek Philipp Seidl Katarina Elez Tim Hempel Tuan Le | 2024/1 |
VN-EGNN: E (3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification | arXiv preprint arXiv:2404.07194 | Florian Sestak Lisa Schneckenreiter Johannes Brandstetter Sepp Hochreiter Andreas Mayr | 2024/4/10 |
GNN-VPA: A Variance-Preserving Aggregation Strategy for Graph Neural Networks | arXiv preprint arXiv:2403.04747 | Lisa Schneckenreiter Richard Freinschlag Florian Sestak Johannes Brandstetter Günter Klambauer | 2024/3/7 |
Principled Weight Initialisation for Input-Convex Neural Networks | Advances in Neural Information Processing Systems | Pieter-Jan Hoedt Günter Klambauer | 2024/2/13 |
HyperPCM: Robust Task-Conditioned Modeling of Drug–Target Interactions | Journal of Chemical Information and Modeling | Emma Svensson Pieter-Jan Hoedt Sepp Hochreiter Günter Klambauer | 2024/1/7 |
Learning Retinal Representations from Multi-modal Imaging via Contrastive Pre-training | Emese Sükei Elisabeth Rumetshofer Niklas Schmidinger Ursula Schmidt-Erfurth Günter Klambauer | 2023/4/28 | |
Context-enriched molecule representations improve few-shot drug discovery | Johannes Schimunek Philipp Seidl Lukas Friedrich Daniel Kuhn Friedrich Rippmann | 2023 | |
Quantification of Uncertainty with Adversarial Models | Advances in Neural Information Processing Systems | Kajetan Schweighofer Lukas Aichberger Mykyta Ielanskyi Günter Klambauer Sepp Hochreiter | 2023/12/15 |
Introduction to the Special Issue: AI Meets Toxicology | Günter Klambauer Djork-Arné Clevert Imran Shah Emilio Benfenati Igor V Tetko | 2023/8/21 | |
A community effort to discover small molecule SARS-CoV-2 inhibitors | Johannes Schimunek Philipp Seidl Katarina Elez Tim Hempel Tuan Le | 2023/4/7 | |
ELENAS: Elementary Neural Architecture Search | Lukas Aichberger Günter Klambauer | 2023/8/15 | |
Enhancing activity prediction models in drug discovery with the ability to understand human language | Philipp Seidl Andreu Vall Sepp Hochreiter Günter Klambauer | 2023/7/3 | |
Unconstrained generation of synthetic antibody–antigen structures to guide machine learning methodology for antibody specificity prediction | Nature Computational Science | Philippe A Robert Rahmad Akbar Robert Frank Milena Pavlović Michael Widrich | 2022/12 |
Domain shifts in machine learning based Covid-19 diagnosis from blood tests | Journal of Medical Systems | Theresa Roland Carl Böck Thomas Tschoellitsch Alexander Maletzky Sepp Hochreiter | 2022/3/29 |
Improving few-and zero-shot reaction template prediction using modern hopfield networks | Philipp Seidl Philipp Renz Natalia Dyubankova Paulo Neves Jonas Verhoeven | 2022/1/15 | |
CLOOME: contrastive learning unlocks bioimaging databases for queries with chemical structures | Nature Communications | Ana Sanchez-Fernandez Elisabeth Rumetshofer Sepp Hochreiter Günter Klambauer | 2023/11/13 |
Normalization is dead, long live normalization | Pieter-Jan Hoedt Sepp Hochreiter Günter Klambauer | 2022 | |
Robust task-specific adaption of models for drug-target interaction prediction | Emma Svensson Pieter-Jan Hoedt Sepp Hochreiter Günter Klambauer | 2022/10/21 | |
In silico proof of principle of machine learning-based antibody design at unconstrained scale | MAbs | Rahmad Akbar Philippe A Robert Cédric R Weber Michael Widrich Robert Frank | 2022/12/31 |
Artificial intelligence meets toxicology | Igor V Tetko Günter Klambauer Djork-Arné Clevert Imran Shah Emilio Benfenati | 2022/8/15 |
Co-Authors
