enerzyme.models.spookynet.interaction

Functions

ResidualStack(dim_embedding, num_residual, ...)

Classes

InteractionModule(dim_embedding, num_rbf, ...)	InteractionModule of SpookyNet, which computes a single iteration.
LocalInteraction(dim_embedding, num_rbf, ...)	Block for updating atomic features through local interactions with neighboring atoms (message-passing).
NonlocalInteraction(dim_embedding, ...[, ...])	Block for updating atomic features through nonlocal interactions with all atoms.