David Graber
David Graber
ZHAW
School of Life Sciences and Facility Management
Institute of Computational Life Sciences
Publications
Articles in scientific journal, peer-reviewed
Graber, D. et al. (2025) 'Resolving data bias improves generalization in binding affinity prediction', Nature Machine Intelligence, 7(10), pp. 1713–1725. doi: 10.1038/s42256-025-01124-5.
Other publications
Graber, D. et al. (2024) GEMS : a generalizable GNN framework for protein-ligand binding affinity prediction through robust data filtering and language model integration. bioRxiv. doi: 10.1101/2024.12.09.627482.
Research data
Graber, David; Armegioiu, Victor, 2026. Out-of-distribution detection in molecular complexes via diffusion models for irregular graphs. Zenodo. Available from: https://doi.org/10.5281/zenodo.18700811