223 citations · 727 across the 52 of their papers we have counts for
3 papers · 1 filter
Consistent Synthetic Sequences Unlock Structural Diversity in Fully Atomistic De Novo Protein Design
Danny Reidenbach, Zhonglin Cao, Zuobai Zhang +8
High-quality training datasets are crucial for the development of effective protein design models, but existing synthetic datasets often include unfavorable sequence-structure pair…
ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids
Hannes Stark, Bowen Jing, Tomas Geffner +4
We develop ProtComposer to generate protein structures conditioned on spatial protein layouts that are specified via a set of 3D ellipsoids capturing substructure shapes and semant…
Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
Siyi Gu, Minkai Xu, Alexander Powers +6
Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recen…