Average minimum distance#
An intuitive way to describe geometries is via distances. However, a simple list of distances is not a good descriptor as it is not permutation invariant.
[PDD] solves this using lexicographic sorting and [AMD] derives a fixed-length descriptor per structure using the average as pooling function.
In mofdscribe, we allow the user to specify a pooling function and to compute the descriptor for custom sets of elements.
Featurizers: AMD AMD