4 papers
Static Recovery Is Not Dynamic Stability: Dynamics-Aware Benchmarking of Protein Motif Scaffolding
Emile de Bruyn, Moritz Schäffler, Jannik Schneider +9
Protein motif scaffolding benchmarks assess whether generative models can build scaffolds around functionally important residues. Their conclusions depend on which motifs are teste…
MatBind: A Shared Embedding Space for Multimodal Materials Characterization
Le Yang, Anoop K. Chandran, Jona Östreicher +8
Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural la…
Simulation-based inference for rapid Bayesian parameter estimation in epidemiological models: a comparison with MCMC
Alina Bazarova, Johann Fredrik Jadebeck, Henrik Zunker +5
Mechanistic epidemiological models are widely used to support infectious disease forecasting and public-health decision making. Bayesian calibration of such models is commonly perf…
OneProt: Towards Multi-Modal Protein Foundation Models
Klemens Flöge, Srisruthi Udayakumar, Johanna Sommer +8
Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OnePro…