Regina Barzilay

Composing Unbalanced Flows for Flexible Docking and Relaxation

Identifying biological perturbation targets through causal differential networks

Predicting perturbation targets with causal differential networks

Hierarchical Protein Backbone Generation with Latent and Structure Diffusion

Conformal Language Modeling

Deep Confident Steps to New Pockets: Strategies for Docking Generalization

Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models

Improving protein optimization with smoothed fitness landscapes

Harmonic Prior Flow Matching for Multi-Ligand Docking and Binding Site Design

DiffDock-Pocket: Diffusion for Pocket-Level Docking with Sidechain Flexibility

Risk-Controlling Model Selection via Guided Bayesian Optimization

MiniFold: Simple, Fast and Accurate Protein Structure Prediction