Extension Tasks

Extension Tasks#

Task 1 Explore the Effect of Domain Adaptation#

Turn off domain adaptation by updating the config file and re-running training and testing.

Replace configs/DA_cross_domain.yaml with configs/non_DA_cross_domain.yaml in the Configuration section of Step 0 as shown below.

cfg.merge_from_file("configs/non_DA_cross_domain.yaml")

Tip: Compare the results with and without domain adaptation to see how it affects model performance.

Task 2 Evaluate DrugBAN on BindingDB Dataset#

To use the BindingDB dataset, modify the relevant line in the Configuration section of Step 0 as shown below.

cfg.DATA.DATASET = "bindingdb"

Reload the dataset and re-run training and testing.

Tip: See if the model struggles more or less with the new dataset. It can reveal how generalisable DrugBAN is.

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