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PDB

Benchmarks

Task NameDataset NameSOTA ResultTrend
Forecastingpdb
MAE0.221
20
Unconditional protein structure generationPDB
Fraction (scRMSD <= 2.0 A)87.5
12
Protein Structure GenerationPDB
FPSD776.297
12
Protein backbone generationPDB filtered
Fraction98
10
Protein backbone generationPDB lengths 60-128
Helix Content87
9
Fixed-backbone sequence design8 PDBs
RMSD (mÅ)570
8
Lead Optimization in Protein FoldingPDB date-split (449 targets)
RMSD (Base)8.45
8
Inverse FoldingPDB (date-split)
AAR52.44
7
Protein Backbone GenerationPDB (test)
Helix Content91
7
Macrocycle generationPDB ID 1H00 (test)
Validity92.5
6
Protein Design (TRF residue inclusion)4 PDBs (1QYS, 6V67, 7SQ3, 8UZL) 1.0 (Summary)
Rosetta RMSD (mÅ)162
5
Structure-Based Drug DesignPDB 55 recovered protein pockets (test)
Vina Score (kcal/mol)-9.41
4
Inverse foldingPDB (test)
Metric-
0
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