The first step of any QSPR modelling project is the collection of data. The supplied data should at least contain the molecule SMILES sequences and the property to be predicted, but can contain any extra information as needed. Furthermore, data can be retrieved from an external source programmatically, using the DataSource class, which is used to describe the creation of data sets from different sources. By default QSPRpred provides the Papyrus data source, which can be used to collect data from the eponymous dataset Papyrus, a large-scale curated bioactivity dataset . This method of data collection is also used for creating multiple benchmarking datasets dynamically, see section 3 for an example. Fetching data with a DataSource will directly return the data in a MoleculeTable object or a QSPRDataset. MoleculeTable is a data container that provides functionality to handle different operations for molecule preparation and descriptor calculation while QSPRDataset is its extension that provides functionality specific to QSPR modelling such as data splitting.