3 papers
cs.LG2026
PairSAE: Mechanistic Interpretability from Pair Representations in Protein Co-Folding
Giosue Migliorini, Aristofanis Rontogiannis, Grigori Guitchounts +3
Foundation models for structural biology have achieved remarkable performance in predicting biomolecular structure and show promise for the design of proteins and small molecules.…
cs.LG2025
Flash Invariant Point Attention
Andrew Liu, Axel Elaldi, Nicholas T Franklin +4
Invariant Point Attention (IPA) is a key algorithm for geometry-aware modeling in structural biology, central to many protein and RNA models. However, its quadratic complexity limi…
cs.LG2024
Bio2Token: All-atom tokenization of any biomolecular structure with Mamba
Andrew Liu, Axel Elaldi, Nathan Russell +1
Efficient encoding and representation of large 3D molecular structures with high fidelity is critical for biomolecular design applications. Despite this, many representation learni…