sample_chemML.json

{
    "data":
{
  "nodes": {
    "ID1": {
      "name": "read_csv",
      "library": "pandas",
      "module": "",
      "inputs": {
        "filepath_or_buffer": "temp/wine_dataset.csv",
        "index_col": 0
      },
      "outputs": {
        "df": true
      },
      "method": {}
    },
    "ID4": {
      "name": "Select_Columns_By_Index",
      "library": "chemml",
      "module": "wrapper.preprocessing",
      "inputs": {
        "selection": [13]
      },
      "outputs": {},
      "method": {
        "name": "fit",
        "inputs": {
          "X": "@ID1@df"
        },
        "outputs": {
          "X1": true, 
          "X2": true
        }
      }
    },
    "ID5": {
      "name": "train_test_split",
      "library": "sklearn",
      "module": "model_selection",
      "inputs": {
        "*args": "@ID4@X1@ID4@X2",
        "test_size": 0.2
      },
      "outputs": {
        "train1": true,
        "test1": true,
        "train2": true,
        "test2": true
      },
      "method": {}
    },
    "ID6": {
      "name": "RandomForestClassifier",
      "library": "sklearn",
      "module": "ensemble",
      "inputs": {
          "max_depth": 8,
          "random_state": 0
      },
      "outputs": {"obj": true},
      "method": {
        "name": "fit",
        "inputs": {
          "X": "@ID5@train1",
          "y": "@ID5@train2"
        },
        "outputs": {}
      }
    },
    "ID7": {
      "name": "RandomForestClassifier",
      "library": "sklearn",
      "module": "ensemble",
      "inputs": {
        "obj": "@ID6@obj"
      },
      "outputs": {},
      "method": {
        "name": "predict",
        "inputs": {
          "X": "@ID5@test1"
        },
        "outputs": {
          "C": true
        }
      }
    },
    "ID8": {
      "name": "accuracy_score",
      "library": "sklearn",
      "module": "metrics",
      "inputs": {
        "y_true": "@ID5@test2",
        "y_pred": "@ID7@C"
      },
      "outputs": {
        "result": true
      },
      "method": {}
    },
    "ID9": {
      "name": "SaveFile",
      "library": "chemml",
      "module": "wrapper.preprocessing",
      "inputs": {
        "file_path": "metric/results.txt"
      },
      "outputs": {},
      "method": {
        "name": "write",
        "inputs": {
          "X": "@ID8@result"
        },
        "outputs": {}
      }
    }
  }
}
}