This section shows several use case examples. All of them use only data from examples directory.

NB: NEEMP is case-sensitive. Please follow carefully this section for insight on the correct syntax. Additional information can be found here.

Example 1 - Info mode

./neemp -m info --atom-types-by ElemBond --sdf-file examples/set01.sdf

Prints information about training set, group atoms according to chemical element and bond order.

**Figure 5:** Output for the *Info mode*. For more information on this mode refer to Info mode section.

NEEMP:Examples

Example 1 - Info mode

Example 2

Example 3

Example 4

Example 5

Example 6

Example 7

Example 8

Example 9