38 citations · 41 across the 3 of their papers we have counts for
3 papers
A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly
Rohan V. Koodli, Alexander S. Powers, Ayush Pandit +2
A common starting point for drug design is to find small chemical groups or "fragments" that form interactions with distinct subregions in a protein binding pocket. The subsequent…
PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking
Yize Jiang, Xinze Li, Yuanyuan Zhang +13
Existing protein-ligand docking studies typically focus on the self-docking scenario, which is less practical in real applications. Moreover, some studies involve heavy frameworks…
Sociotechnical Audits: Broadening the Algorithm Auditing Lens to Investigate Targeted Advertising
Michelle S. Lam, Ayush Pandit, Colin H. Kalicki +3
Algorithm audits are powerful tools for studying black-box systems. While very effective in examining technical components, the method stops short of a sociotechnical frame, which…