gt4sd.algorithms.generation.torchdrug package

TorchDrugGenerationAlgorithm initialization.

Submodules:

• gt4sd.algorithms.generation.torchdrug.core module
• gt4sd.algorithms.generation.torchdrug.implementation module

Summary

__all__ Classes:

TorchDrugGCPN	Interface for TorchDrug Graph-convolutional policy network (GCPN) algorithm.
TorchDrugGenerator	Interface for automated generation via an AlgorithmConfiguration.
TorchDrugGraphAF	Interface for TorchDrug flow-based autoregressive graph algorithm (GraphAF).