content: # Test the Mordred descriptor scoring component
  
  run_type = "scoring"
  output_csv = "mordred_descriptors.csv"
  json_out_config = "_mordred_descriptors.json"
  
  [parameters]
  
  smiles_file = "tests/chembl_random_10.smi"
  
  
  [scoring]
  
  type = "geometric_mean"
  parallel = false
  
  [[scoring.component]]
  [scoring.component.MordredDescriptors]
  
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/ABC"
  params.descriptor = "ABC"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/ABCGG"
  params.descriptor = "ABCGG"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nAcid"
  params.descriptor = "nAcid"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nBase"
  params.descriptor = "nBase"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/SpAbs_A"
  params.descriptor = "SpAbs_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/SpMax_A"
  params.descriptor = "SpMax_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/SpDiam_A"
  params.descriptor = "SpDiam_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/SpAD_A"
  params.descriptor = "SpAD_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/SpMAD_A"
  params.descriptor = "SpMAD_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/LogEE_A"
  params.descriptor = "LogEE_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VE1_A"
  params.descriptor = "VE1_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VE2_A"
  params.descriptor = "VE2_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VE3_A"
  params.descriptor = "VE3_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VR1_A"
  params.descriptor = "VR1_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VR2_A"
  params.descriptor = "VR2_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/VR3_A"
  params.descriptor = "VR3_A"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nAromAtom"
  params.descriptor = "nAromAtom"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nAromBond"
  params.descriptor = "nAromBond"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nAtom"
  params.descriptor = "nAtom"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nHeavyAtom"
  params.descriptor = "nHeavyAtom"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nSpiro"
  params.descriptor = "nSpiro"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nBridgehead"
  params.descriptor = "nBridgehead"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nHetero"
  params.descriptor = "nHetero"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nH"
  params.descriptor = "nH"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nB"
  params.descriptor = "nB"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nC"
  params.descriptor = "nC"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nN"
  params.descriptor = "nN"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nO"
  params.descriptor = "nO"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nS"
  params.descriptor = "nS"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nP"
  params.descriptor = "nP"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nF"
  params.descriptor = "nF"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nCl"
  params.descriptor = "nCl"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nBr"
  params.descriptor = "nBr"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nI"
  params.descriptor = "nI"
  params.nprocs = 8 
  [[scoring.component.MordredDescriptors.endpoint]]
  name = "Mordred/nX"
  params.descriptor = "nX"
  params.nprocs = 8 
  