Lifted from the doc:
One of the big difficulties of making a general MLIP system is how much computational demands vary with input size and complexity. Add utilities to let users compute memory consumption of their input and get an estimate of how much they can do in one run.
Lifted from the doc:
One of the big difficulties of making a general MLIP system is how much computational demands vary with input size and complexity. Add utilities to let users compute memory consumption of their input and get an estimate of how much they can do in one run.