Add a dataset¶
Make a new candidate pool available to ALF by subclassing BaseDataset. The dataset supplies the
candidate pool, its labels, train/validation splits, and a query interface, so it can serve both
the search space and (in offline mode) the Oracle.
Base class: BaseDataset. Key methods: load_dataset, query.
Steps¶
Subclass
BaseDatasetundertools/alf_tools/datasets/.Implement
load_dataset(build the candidate pool and labels) andquery.Pick a compatible modality (e.g. protein
sequenceor SMILES) so models line up.Add tests and run the build / pre-commit checks.
Reference notebook¶
Datasets: implement a custom
BaseDataset.