Commit 31e9d932 authored by Patrick Scheibe's avatar Patrick Scheibe
Browse files

Add cases for testing sample 0-1 distributions

parent f3c535cf
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_0p5/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 0.5
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_0p6/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 0.6
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_0p7/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 0.7
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_0p8/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 0.8
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_0p9/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 0.9
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_01/results_1p0/",
"ecWeightsFile": "",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": false,
"sampleFractionOnes": 1.0
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_0p5/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 0.5
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_0p6/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 0.6
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_0p7/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 0.7
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_0p8/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 0.8
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_0p9/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 0.9
}
\ No newline at end of file
{
"py/object": "dfpl.options.TrainOptions",
"inputFile": "data/Sun_etal_dataset.pkl",
"outputDir": "validation/case_02/results_1p0/",
"ecWeightsFile": "validation/case_00/results_AC_S/ac_S.encoder.hdf5",
"type": "smiles",
"fpType": "topological",
"epochs": 3000,
"fpSize": 2048,
"encFPSize": 256,
"kFolds": 5,
"testingFraction": 0.2,
"enableMultiLabel": true,
"verbose": 2,
"trainAC": false,
"trainFNN": true,
"compressFeatures": true,
"sampleFractionOnes": 1.0
}
\ No newline at end of file
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