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Site Navigation

  • Installation
  • Tutorials
  • User Guide
  • Cookbook
  • Reference
  • GitHub

Section Navigation

  • OpenFE API Reference
    • openfe.setup
      • atom_mapping
        • perses_scorers
          • default_perses_scorer
        • lomap_scorers
          • DEFAULT_ANS_DIFFICULTY
          • atomic_number_score
          • default_lomap_score
          • ecr_score
          • heterocycles_score
          • hybridization_score
          • mcsr_score
          • mncar_score
          • sulfonamides_score
          • tmcsr_score
          • transmuting_methyl_into_ring_score
          • transmuting_ring_sizes_score
        • LigandAtomMapping
        • LigandAtomMapper
        • LomapAtomMapper
        • PersesAtomMapper
      • system
        • ChemicalSystem
        • Component
        • ProteinComponent
        • SmallMoleculeComponent
        • SolventComponent
      • ligand_network_planning
        • generate_maximal_network
        • generate_minimal_redundant_network
        • generate_minimal_spanning_network
        • generate_network_from_indices
        • generate_network_from_names
        • generate_radial_network
        • load_fepplus_network
        • load_orion_network
      • alchemical_network_planner
        • abstract_alchemical_network_planner
          • AbstractAlchemicalNetworkPlanner
        • relative_alchemical_network_planner
          • PROTOCOL_GENERATOR
          • RBFEAlchemicalNetworkPlanner
          • RHFEAlchemicalNetworkPlanner
          • RelativeAlchemicalNetworkPlanner
      • LigandNetwork
      • Transformation
      • AlchemicalNetwork
    • openfe.orchestration
      • execute_DAG
    • openfe.analysis
      • plotting
        • plot_convergence
        • plot_lambda_transition_matrix
        • plot_replica_timeseries
    • openfe.protocols
      • settings
        • Settings
        • SettingsBaseModel
        • SystemSettings
        • SolvationSettings
        • AlchemicalSamplerSettings
        • OpenMMEngineSettings
        • IntegratorSettings
        • SimulationSettings
        • ThermoSettings
        • OpenMMSystemGeneratorFFSettings
        • AlchemicalSettings
      • openmm_rfe
        • RelativeHybridTopologyProtocolSettings
        • RelativeHybridTopologyProtocol
        • RelativeHybridTopologyProtocolResult
        • RelativeHybridTopologyProtocolUnit
      • Protocol
      • ProtocolDAG
      • ProtocolUnit
      • ProtocolUnitResult
      • ProtocolUnitFailure
      • ProtocolDAGResult
      • ProtocolResult
    • openfe.storage
      • metadatastore
        • JSONMetadataStore
        • MetadataStore
        • PerFileJSONMetadataStore
      • resultclient
        • CloneResult
        • ExtensionResult
        • ResultClient
        • TransformationResult
      • resultserver
        • ResultServer
    • openfe.utils
      • custom_typing
        • OEMol
      • requires_package
      • without_oechem_backend
      • log_system_probe
      • GufeTokenizable
  • CLI Reference
    • plan-rhfe-network command
    • plan-rbfe-network command
    • quickrun command
    • gather command
  • Reference
  • OpenFE API Reference

openfe.storage#

Storage of results, data, and artifacts from simulations.

Modules

metadatastore

resultclient

resultserver

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ProtocolResult

next

metadatastore
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