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Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
Schneckenreiter, L., Luukkonen, S. I. M., Friedrich, L., Kuhn, D. & Klambauer, G., 14 Jan 2026, 22 p. (arXiv.org; no. 2601.09693).Research output: Working paper and reports › Preprint
Open Access -
Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences
Schmidinger, N., Schneckenreiter, L., Seidl, P., Schimunek, J., Hoedt, P.-J., Brandstetter, J., Mayr, A., Luukkonen, S., Hochreiter, S. & Klambauer, G., 2025, The Thirteenth International Conference on Learning Representations.Research output: Chapter in Book/Report/Conference proceeding › Poster › peer-review
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Ligand-Conditioned Binding Site Prediction Using Contrastive Geometric Learning
Schneckenreiter, L., Luukkonen, S., Friedrich, L., Kuhn, D. & Klambauer, G., 2025, Learning Meaningful Representations of Life (LMRL) Workshop at ICLR 2025. 1 ed. 10 p.Research output: Chapter in Book/Report/Conference proceeding › Conference proceedings › peer-review
Open Access -
VN-EGNN: E(3)- and SE(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification
Sestak, F., Schneckenreiter, L., Brandstetter, J., Hochreiter, S., Mayr, A. & Klambauer, G., Dec 2026, In: Journal of Cheminformatics. 18, 1, p. 1758-2946 16 p., 11.Research output: Contribution to journal › Article › peer-review
Open Access -
Analysis and Extension of Hopfield-Based Context Enrichment of Molecular Representations in Few-Shot Drug Discovery
Schneckenreiter, L., Dec 2024, 51 p.Research output: Thesis › Master's / Diploma thesis
