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protein-ml
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posebusters
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posebusters
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benchmark
docking
molecule-generation
protein
rdkit
source-code
testing
Visibility: Public
Updated 2026-09-10
Dataset card
Files
Benchmarks
Overview
Plausibility checks for generated molecule poses.
Papers
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences.
Reference
Chemical Science, 2023
DOI: 10.1039/d3sc04185a ↗