tdc.oracles

class tdc.oracles.Oracle(name, target_smiles=None, num_max_call=None, **kwargs)[source]

Bases: object

the oracle class to retrieve any oracle given by query name

Parameters
  • name (str) – the name of the oracle

  • target_smiles (None, optional) – target smiles for some meta-oracles

  • num_max_call (None, optional) – number of maximum calls for oracle, used by docking group

  • **kwargs – additional parameters for some oracles

assign_evaluator()[source]

assign the specific oracle function given by query oracle name