Johannes Schimunek

According to our database, Johannes Schimunek authored at least 7 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

MolecularIQ: Characterizing Chemical Reasoning Capabilities Through Symbolic Verification on Molecular Graphs.

Christoph Bartmann, Johannes Schimunek, Mykyta Ielanskyi, Philipp Seidl, Günter Klambauer, Sohvi Luukkonen

CoRR, January, 2026

Structure is the Signal: Graph Encodings and GNNs for Constraint Repair in Collaborative KGs.

Miguel Vázquez, Kevin Innerebner, Alexander Prock, Günter Klambauer, Elisabeth Lex, Johannes Schimunek, Axel Polleres

Proceedings of the Semantic Web - 23rd European Semantic Web Conference, 2026

2025

Measuring AI Progress in Drug Discovery: A Reproducible Leaderboard for the Tox21 Challenge.

Antonia Ebner, Christoph Bartmann, Sonja Topf, Sohvi Luukkonen, Johannes Schimunek, Günter Klambauer

CoRR, November, 2025

MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery.

Johannes Schimunek, Sohvi Luukkonen, Günter Klambauer

J. Chem. Inf. Model., 2025

Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences.

Niklas Schmidinger, Lisa Schneckenreiter, Philipp Seidl, Johannes Schimunek, Pieter-Jan Hoedt, Johannes Brandstetter, Andreas Mayr, Sohvi Luukkonen, Sepp Hochreiter, Günter Klambauer

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

2023

Context-enriched molecule representations improve few-shot drug discovery.

Johannes Schimunek, Philipp Seidl, Lukas Friedrich, Daniel Kuhn, Friedrich Rippmann, Sepp Hochreiter, Günter Klambauer

Proceedings of the Eleventh International Conference on Learning Representations, 2023

2020

Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networks.

Markus Hofmarcher, Andreas Mayr, Elisabeth Rumetshofer, Peter Ruch, Philipp Renz, Johannes Schimunek, Philipp Seidl, Andreu Vall, Michael Widrich, Sepp Hochreiter, Günter Klambauer

CoRR, 2020