gaudi.objectives.rst

gaudi.objectives

These are the built-in objectives in GaudiMM. You can also build your own, but these are ready to use.

Angle objective

gaudi.objectives.angle

Contacts objective

gaudi.objectives.contacts

Coordination objective

gaudi.objectives.coordination

Distance objective

gaudi.objectives.distance

DrugScoreX objective

gaudi.objectives.dsx

Energy (OpenMM) objective

gaudi.objectives.energy

GOLD objective

gaudi.objectives.gold

Hydrogen bonds objective

gaudi.objectives.hbonds

Inertia objective

gaudi.objectives.inertia

LigScore objective

gaudi.objectives.ligscore

NWChem objective

gaudi.objectives.nwchem

Solvation objective

gaudi.objectives.solvation

Vina objective

gaudi.objectives.vina

Volume objective

gaudi.objectives.volume

Base class for all objectives

gaudi.objectives