enerzyme.models.layers.rbf

Classes

BaseRBF(num_rbf, cutoff_sr, cutoff_fn)
BernsteinRBFLayer(num_rbf, cutoff_sr[, ...])	Radial basis functions based on Bernstein polynomials given by: b_{v,n}(x) = (n over v) * (x/cutoff)**v * (1-(x/cutoff))**(n-v) (see https://en.wikipedia.org/wiki/Bernstein_polynomial) Here, n = num_basis_functions-1 and v takes values from 0 to n.
BesselRBFLayer(num_rbf, cutoff_sr[, ...])
ExponentialBernsteinRBFLayer(num_rbf[, ...])
ExponentialGaussianRBFLayer(num_rbf[, ...])
ExponentialRBF(num_rbf[, ...])
GaussianRBFLayer(num_rbf, cutoff_sr[, cutoff_fn])	Radial basis functions based on Gaussian functions:
GaussianSmearing(num_rbf, cutoff_sr[, cuton])
SincRBFLayer(num_rbf, cutoff_sr[, cutoff_fn])	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.