NEEMP features several functionalities, each of those can be selected by the option --mode or -m combined with one of the following keywords:

info : display information about the training set

cover : display how many molecules are covered by the given parameters set

charges : calculate EEM charges

cross : perform cross-validation

params : calculate EEM parameters (due to its complexity and relevance this mode is treated on a separate section)

Info (-m info)

Cover (-m cover)