mtenn.conversion_utils

Subpackage where the implementations for individual models live. Each module in here should have a class that handles the logic for constructing Representation and Strategy blocks for that model. For more information on how this works and how to add your own model, see our guide on Adding a new installable model.

Modules

mtenn.conversion_utils.e3nn

Representation and Strategy implementations for an E(3)-equivariant model using e3nn.

mtenn.conversion_utils.schnet

Representation and Strategy implementations for the SchNet model architecture.

mtenn.conversion_utils.visnet

Representation and Strategy implementations for the ViSNet model architecture.