gninatorch package

PyTorch implementation of GNINA scoring function

Submodules

• gninatorch.dataloaders module
• gninatorch.gnina module
• gninatorch.inference module
• gninatorch.losses module
• gninatorch.metrics module
• gninatorch.models module
• gninatorch.setup module
• gninatorch.training module
• gninatorch.transforms module
• gninatorch.utils module