Pyrite benchmarks protein-ligand pose ranking where experts perform near chance
Researchers introduce Pyrite, a pairwise pose-ranking benchmark with 1,500 pose pairs across diverse protein-ligand complexes. Expert chemists using 3D visualization and physics-based scores perform near chance, showing how hard ranking is. The work also introduces PyriteRep, a structured molecular…
Read the full story at DEV Community — Machine Learning ↗
Timeline · 1 report
- 2026-11-11 07:02 · DEV Community — Machine Learning
Pyrite benchmarks protein-ligand pose ranking where experts perform near chance