University of Vienna

Enzyme reaction mechanism generation from sequence, catalytic residues and substrate SMILES, sampling multi-step electron-flow trajectories.

Structure-based drug design model building 3D ligands atom by atom inside a protein pocket, with explicit hydrogens and fragment completion.

Tissue-specific histological aging clocks that read biological age and per-organ age gaps from H&E whole-slide images and from blood gene expression.

Contrastive transcriptome-text model for free-text search, zero-shot cell annotation and natural-language chat over bulk and single-cell RNA-seq.

RNA folding kinetics model that predicts the full distribution of first passage times from a few simulated examples in a single forward pass.