A measured benchmark of structure prediction confidence, reporting pLDDT calibration against lDDT, the physical validity of predicted structures, and what docking into a predicted receptor costs against docking into the crystal structure it was built from.
python bash benchmark structural-biology computational-biology reproducibility pae structural-bioinformatics protein-structure-prediction molecular-docking coronavirus confidence-calibration boltz alphafold2 colabfold spike-protein pedv plddt lddt openstructure
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Updated
Sep 28, 2026 - Python