Table 2 Tests for which we compare different score functions (score12, talaris2013, talaris2014, ref2015, ligand, betaNov16, mpframework, ref2015mem, and franklin2019), complete with quality measures, number of targets in each benchmark, number of models created (nstruct) and runtime in CPU hours per score function.
Test suite | Tests | score12 | ligand | mpframework | talaris13 | talaris14 | ref2015 | ref2015mem | betaNov16 | franklin2019 | Quality measures | Targets | nstruct | Runtime in CPUh |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Docking | docking | x | x | x | x | I_sc vs. I_rmsd | 10 | 1000 | 150 | |||||
Design | design_fast | x | x | x | x | Score vs. seqrec | 48 | 100 | 2600 | |||||
Loop modeling | loop_modeling_CCD | x | x | x | x | Score vs. loop_rmsd | 7 | 500 | 500 | |||||
loop_modeling_KIC | x | x | x | x | Score vs. loop_rmsd | 7 | 500 | 620 | ||||||
loop_modeling_KIC_fragments | x | x | x | x | Score vs. loop_rmsd | 7 | 500 | 760 | ||||||
loop_modeling_NGK | x | x | x | x | Score vs. loop_rmsd | 7 | 500 | 570 | ||||||
Refinement | relax_fast | x | x | x | x | Score vs. rmsd | 12 | 100 | 120 | |||||
relax_fast5 | x | x | x | x | Score vs. rmsd | 12 | 100 | 120 | ||||||
relax_cart | x | x | x | x | Score vs. rmsd | 12 | 100 | 120 | ||||||
Ligand docking | ligand_docking | x | x | x | x | Delta_Isc vs. ligand_rmsd | 50 | 200 | 2000 | |||||
Membrane proteins | mp_ddg (ddG of mutation) | x | x | x | x | Pearson correlation | 3 | 50 | 1800 |
