enerzyme.models.layers.rbf.SincRBFLayer

class enerzyme.models.layers.rbf.SincRBFLayer(num_rbf: int, cutoff_sr: float, cutoff_fn: Literal['polynomial', 'bump'] = 'bump')

Bases: BaseRBF

Radial basis functions based on sinc functions given by: g_i(x) = sinc((i+1)*x/cutoff) Here, i takes values from 0 to num_basis_functions-1.

Arguments:

num_basis_functions (int):

Number of radial basis functions.

cutoff (float):

Cutoff radius.

__init__(num_rbf: int, cutoff_sr: float, cutoff_fn: Literal['polynomial', 'bump'] = 'bump') → None

Initializes the SincFunctions class.