chemicalchecker.tool.targetmate.models.hyperoptconfigs.HyperoptClassifierConfigs

class HyperoptClassifierConfigs(base_mod, **kwargs)[source]

Methods

`as_pipeline`	The smiles parameter is used for the chemistry-aware (e.g.
`params2choices`
`search`

as_pipeline(X, y, smiles=None, **kwargs)[source]: The smiles parameter is used for the chemistry-aware (e.g. scaffold) split