gt4sd.frameworks.gflownet.train.core module

Train module implementation.

Summary

Functions:

train_gflownet

Train a gflownet given a configuration, a dataset and a task.

train_gflownet_main

Train a gflownet module parsing arguments from config and standard input.

Reference

train_gflownet(configuration, dataset, environment, context, task)[source]

Train a gflownet given a configuration, a dataset and a task. The default enviroment and context are compatible with small molecules.

Parameters

  • configuration (Dict[str, Any]) – a configuration dictionary.

  • dataset (GFlowNetDataset) – a dataset compatible with lightning.

  • environment (GraphBuildingEnv) – an environment specifying the state space.

  • context (GraphBuildingEnvContext) – an environment context specifying how to combine states.

  • task (GFlowNetTask) – a task specifying the reward structure.

Return type

None

train_gflownet_main(configuration, dataset, environment, context, task)[source]

Train a gflownet module parsing arguments from config and standard input.

Return type

None