What dataset for the built-in models?

[gaoshan2006]

Hi Developer,

I see there are 5 default built-in models, including "redock_default2018_2","general_default2018_3", "crossdock_default2018" and 2 "Dense" models. It looks the redock model was built from the "redock" subset in Crossdock2020 dataset. But for "general_default2018" , I originally guessed this model was built from PDbbind2016 General dataset, I ever tried to build my own default2018 model by using PDBbind2016 General only, however the performance of my own default2018 model from PDBbind2016 General is much poor than the "general_default2018_3" when affinity evaluation ( just single model comparing), So I guess maybe there was more data used. What the dataset was used to build the "general_default2018" ?

Another question, I guess the "crossdock_default2018" and "Dense" models are both built from Crossdock2020 dataset, right ? There are several serial files with "CrossDocked2020/types" folder, like "it2_tt_v1.3_0_train" ,"it2_tt_v1.3_10p20n_train" and "mod_it2_tt_v1.3_0_train" files. Which serial types file was used for "crossdock_default2018" and "Dense" models ?

Thanks a lot !

[dkoes]

general means PDBbind general, but is using docked poses, not crystal. The deployed models train on the full dataset and used CrossDocked 1.0 (1.3 improves performance).