Class: MachineLearnedPotential

Machine learned potential used for molecules.

URI: https://CCPBioSim.ac.uk/biosim-schema/MachineLearnedPotential

         classDiagram
    class MachineLearnedPotential
    click MachineLearnedPotential href "../../classes/MachineLearnedPotential/"
      MachineLearnedPotential : machine_learned_potential_name
        
          
    
        
        
        MachineLearnedPotential --> "0..1" MachineLearnedPotentialName : machine_learned_potential_name
        click MachineLearnedPotentialName href "../../enums/MachineLearnedPotentialName/"
    

        
      MachineLearnedPotential : modified
        
      
    

Slots

Name	Cardinality and Range	Description	Inheritance
machine_learned_potential_name	0..1 MachineLearnedPotentialName	ML force field used to describe molecules	direct
modified	0..1 boolean	Has the initial model been modified from the original?	direct

Usages

used by	used in	type	used
PotentialMetadata	machine_learned_potential	range	MachineLearnedPotential

Identifier and Mapping Information

Schema Source

• from schema: https://CCPBioSim.ac.uk/biosim-schema/

Mappings

Mapping Type	Mapped Value
self	https://CCPBioSim.ac.uk/biosim-schema/MachineLearnedPotential
native	https://CCPBioSim.ac.uk/biosim-schema/MachineLearnedPotential

LinkML Source

Direct

name: MachineLearnedPotential
description: Machine learned potential used for molecules.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
slots:
- machine_learned_potential_name
- modified

Induced

name: MachineLearnedPotential
description: Machine learned potential used for molecules.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
attributes:
  machine_learned_potential_name:
    name: machine_learned_potential_name
    description: ML force field used to describe molecules.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: MachineLearnedPotential
    domain_of:
    - MachineLearnedPotential
    range: MachineLearnedPotentialName
  modified:
    name: modified
    description: Has the initial model been modified from the original?
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: MachineLearnedPotential
    domain_of:
    - MoleculeID
    - WaterPotential
    - ProteinPotential
    - LipidPotential
    - NucleicPotential
    - CarbohydratePotential
    - PolymerPotential
    - GeneralPotential
    - MachineLearnedPotential
    range: boolean