predict

irsa.predict.predict(model, exp, pred)[source]

Helper function to predict similarity between experimental and predicted spectra given a trained model. Will attempt to coerce input shapes.

Parameters:

model (instance of PyTorch model)
exp (array) – Array of experimental intensities. Shape (N, M).
pred (array) – Array of predicted intensities. Shape (N, M).

Returns:

Array of predicted scores. Shape (N, ).

Return type:

array