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===[[NEEMP:Examples | Examples]]===
===[[NEEMP:Examples | Examples]]===
#[[NEEMP:Examples#Example 1 - Info mode | Example 1 - Info mode]]
#[[NEEMP:Examples#Example 1 - Info mode | Example 1 - Training set information]]
#[[NEEMP:Examples#Example 2 - Cover mode | Example 2 - Cover mode]]
#[[NEEMP:Examples#Example 2 - Cover mode | Example 2 - Coverage validation]]
#[[NEEMP:Examples#Example 3 - Charges mode | Example 3 - Charges mode]]
#[[NEEMP:Examples#Example 3 - Charges mode | Example 3 - Calculation mode]]
#[[NEEMP:Examples#Example 4 - Cross mode | Example 4 - Cross mode]]
#[[NEEMP:Examples#Example 4 - Cross mode | Example 4 - Quality validation]]
#[[NEEMP:Examples#Example 5 - Params mode | Example 5 - Params mode]]
#[[NEEMP:Examples#Example 5 - Params mode | Example 5 - Parametrizaton mode]]
#[[NEEMP:Examples#Example 6 - Params mode k search | Example 6 - Params mode k search]]
#[[NEEMP:Examples#Example 6 - Params mode k search | Example 6 - Parametrization mode k search]]
#[[NEEMP:Examples#Example 7 - Params mode simple discard | Example 7 - Params mode simple discard]]
#[[NEEMP:Examples#Example 7 - Params mode simple discard | Example 7 - Parametrization mode simple discard]]
#[[NEEMP:Examples#Example 8 - Params mode GM | Example 8 - Params mode GM]]
#[[NEEMP:Examples#Example 8 - Params mode GM | Example 8 - Parametrization mode GM]]
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Revision as of 18:11, 20 June 2016


NEEMP is the first freely available software for EEM parametrization, EEM charges validation and EEM charges calculation. This Wiki page is intended to guide the user through NEEMP functionalities, providing complete but simple descriptions of the software features and helpful examples on its usage.

For a more detailed and thorough description of NEEMP's methods and implementation we refer the user to the links at the bottom of this page ( References).



  1. Calculation mode
  2. Parametrization mode
    1. Linear Regression
    2. Guided Minimization
  3. Validation mode
    1. Coverage validation
    2. Quality validation

  1. SDF file
  2. CHG file
  3. PAR file

  1. Example 1 - Training set information
  2. Example 2 - Coverage validation
  3. Example 3 - Calculation mode
  4. Example 4 - Quality validation
  5. Example 5 - Parametrizaton mode
  6. Example 6 - Parametrization mode k search
  7. Example 7 - Parametrization mode simple discard
  8. Example 8 - Parametrization mode GM