Datasets are hosted at Open Science Framework and Dataverse.

Available datasets:

	Docking of amino-oxazoles to bacterial biotin carboxylase isoforms.
	Comparative structure models of drug-target interactions from the Binding Database.
	Structure-based function annotation of the roundworm proteome.
	Structure-based function annotation of the human proteome.
	Structure-based function annotation of the fruitfly proteome.
	Structure-based function annotation of the proteomes of malaria parasites.
	Structure-based function annotation of the mouse proteome.
	Computational drug repositioning to find treatments for orphan diseases.
	Dataset to evaluate algorithms for binding site classification.
	Dataset to evaluate algorithms for ligand docking.
	Dataset to evaluate algorithms for binding site matching.
	Dataset to evaluate algorithms for binding site matching.