Right. The benchmark (their test set) just compares 3D structures.
Side note: 52% also seems low for Vina, but I haven’t looked into this further. Maybe the benchmark is hard, or maybe the “search space” (user-specified) was too big.
On their other test (in their Extended Data), both Vina and AF3 do much better.
Right. The benchmark (their test set) just compares 3D structures.
Side note: 52% also seems low for Vina, but I haven’t looked into this further. Maybe the benchmark is hard, or maybe the “search space” (user-specified) was too big.
On their other test (in their Extended Data), both Vina and AF3 do much better.