BespokeFit documentation

openff-bespokefit

optimizers

Optimizes force field parameters to fit some ground truth data

Modules

base	Here we register all optimizers with bespokefit.
forcebalance
model	The optimizer model abstract class.

Classes

BaseOptimizer	This is the abstract basic BaseOptimizer class that each optimizer should use.
deregister_optimizer	Remove an optimizer from the list of valid optimizers.
get_optimizer	Get the optimizer class from the list of registered optimizers in bespokefit by name.
list_optimizers	Get the list of registered optimizers with bespokefit.
register_optimizer	Register a new valid optimizer with bespokefit.
ForceBalanceOptimizer	An optimizer class which controls the interface with ForceBalance.