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evolution.params
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evolution.params
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# Genetic Algorithm - paramerers
GA-PrecisionLevel=5
GA-PrintLevel=0
GA-PopulationSize=25
GA-NumChildren=5
GA-NumGenerations=100
GA-NumConvGen=10
GA-GrowthProbScheme=SIGMA
GA-GrowthMultiplier=1.0
GA-GrowthSigmaSteepness=2.0
GA-GrowthSigmaMiddle=1.0
GA-XOverSelectionMode=TS
GA-CrossoverProbability=0.75
GA-MutationProbability=0.75
GA-SymmetryProbability=1.0
GA-ReplacementStrategy=ELITIST
GA-NumParallelTasks=5
GA-Parallelization=Asynchronous
# Fragment Space - paramerers
FS-ScaffoldLibFile=../fragment_space/scaffold.sdf
FS-FragmentLibFile=../fragment_space/fragments.sdf
FS-CappingFragmentLibFile=../fragment_space/capping_groups.sdf
FS-CompMatrixFile=../fragment_space/compatibility_matrix.par
FS-RotBondsDefFile=rotatableBonds-1.0
FS-EnforceSymmetry
FS-MaxHeavyAtom=50
FS-MaxRotatableBond=20
FS-MaxMW=10000
# Fitness Provider - paramerers
# Actual Provider
FP-Source=Ru_14-el_fitness_BndLng.sh
FP-Interpreter=bash
# Fake Provider (for demonstration only!)
#FP-Equation=${MW}