A fair benchmark shows conventional docking programs beat DiffDock, and DiffDock's remaining accuracy mostly comes from cases with near-duplicate training structures.
Surflex-Dock: Docking benchmarks and real-world application
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Deep-Learning Based Docking Methods: Fair Comparisons to Conventional Docking Workflows
A fair benchmark shows conventional docking programs beat DiffDock, and DiffDock's remaining accuracy mostly comes from cases with near-duplicate training structures.