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1 parent eb02306 commit 8b4eb30Copy full SHA for 8b4eb30
example/cytotox_train_uncomp_1.json
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+{
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+ "py/object": "dfpl.options.Options",
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+ "inputFile": "example/data/regression_cytotox.csv",
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+ "outputDir": "example/cytotox/uncomp/train",
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+ "ecModelDir": "example/models/generic_encoder/",
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+ "type": "smiles",
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+ "fpType": "topological",
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+ "fpSize": 2048,
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+ "encFPSize": 256,
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+ "enableMultiLabel": false,
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+ "verbose": 2,
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+ "trainAC": false,
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+ "trainFNN": true,
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+ "compressFeatures": false,
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+ "kFolds": 5,
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+ "testSize": 0.2,
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+ "optimizer": "Adam",
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+ "lossFunction": "mse",
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+ "epochs": 5000,
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+ "batchSize": 1024 ,
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+ "activationFunction": "relu",
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+ "dropout": 0.3,
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+ "learningRate" : 0.0001 ,
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+ "l2reg" : 0.0001 ,
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+ "fnnType": "REG",
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+ "normalize" : true
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+}
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