Core

schemas.workflow.amber.v20.core.Amber20Schema

Bases: AmberSchemaBase

Amber 20 schema for simulation contexts.

cli = Field(default_factory=Amber20CLI) class-attribute instance-attribute

ff = Field(default_factory=Amber20Forcefield) class-attribute instance-attribute

inputs = Field(default_factory=Amber20Inputs) class-attribute instance-attribute