vis_final_models.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Visualisation Notebook\n",
    "This notebook will take in all models, and return the train/test scores, while showing a plot of predicted vs experimental HLCs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:52.658101Z",
     "start_time": "2020-02-04T20:00:44.483958Z"
    }
   },
   "outputs": [],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "import pandas as pd\n",
    "import numpy as np\n",
    "import mpld3\n",
    "mpld3.disable_notebook()\n",
    "import os\n",
    "import ipywidgets as widgets\n",
    "from IPython.display import display\n",
    "import joblib"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:52.673145Z",
     "start_time": "2020-02-04T20:00:52.660105Z"
    }
   },
   "outputs": [],
   "source": [
    "def prediction_plot_scores(model_func, pred_df, features_list):\n",
    "    \"\"\"Print train+test scores, then plot scatter of predicted vs actual HLCs. Uses {X/y}_{train/test},\n",
    "    redefining these variables will change the output.\"\"\"\n",
    "    print('Training Score:\\t', model_func.score(X_train[features_list], y_train))\n",
    "    print('Testing Score:\\t', model_func.score(X_test[features_list], y_test))\n",
    "    fig = plt.figure(figsize=(10, 10))\n",
    "    scatter = plt.scatter(pred_df['Experimental'], pred_df['Predicted'])\n",
    "    plt.xlabel('Experimental')\n",
    "    plt.ylabel('Predicted')\n",
    "    plt.title('%s predictions of HLCs' %str(model_func).split(sep='(')[0])\n",
    "    labels = ['{}'.format(i) for i in species_names]\n",
    "    tooltip = mpld3.plugins.PointLabelTooltip(scatter, labels=labels)\n",
    "    mpld3.plugins.connect(fig, tooltip)\n",
    "    plt.plot([-30, 10], [-30, 10], c='red')\n",
    "    plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Set up function to view all models\n",
    "## Dict containing sets of models, with dataset types as keys"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:52.924463Z",
     "start_time": "2020-02-04T20:00:52.679159Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'DRAGON_noVPAS': ['../HLCPredictor_Models/DRAGON_noVPAS/set_1/',\n",
       "  '../HLCPredictor_Models/DRAGON_noVPAS/set_2/',\n",
       "  '../HLCPredictor_Models/DRAGON_noVPAS/set_3/'],\n",
       " 'DRAGON_VPAS': ['../HLCPredictor_Models/DRAGON_VPAS/set_1/',\n",
       "  '../HLCPredictor_Models/DRAGON_VPAS/set_2/',\n",
       "  '../HLCPredictor_Models/DRAGON_VPAS/set_3/'],\n",
       " 'PCA_DRAGON_noVPAS': ['../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/',\n",
       "  '../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/',\n",
       "  '../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/'],\n",
       " 'PCA_DRAGON_VPAS': ['../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/',\n",
       "  '../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/',\n",
       "  '../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/'],\n",
       " 'RDKit_noVPAS': ['../HLCPredictor_Models/RDKit_noVPAS/set_1/',\n",
       "  '../HLCPredictor_Models/RDKit_noVPAS/set_2/',\n",
       "  '../HLCPredictor_Models/RDKit_noVPAS/set_3/'],\n",
       " 'RDKit_VPAS': ['../HLCPredictor_Models/RDKit_VPAS/set_1/',\n",
       "  '../HLCPredictor_Models/RDKit_VPAS/set_2/',\n",
       "  '../HLCPredictor_Models/RDKit_VPAS/set_3/']}"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "path_dict = {} #dict holding each dataset type as keys, and lists of model set dirs as values.\n",
    "for dataset in os.listdir(\"../HLCPredictor_Models/\"):\n",
    "    path_list = []\n",
    "    for i in range(1, 4):\n",
    "        set_n = \"set_\" + str(i)\n",
    "        path_list.append(\"../HLCPredictor_Models/%s/%s/\"%(dataset, set_n))\n",
    "    path_dict.update({dataset:path_list})\n",
    "display(path_dict)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Creating file path lists"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:53.254696Z",
     "start_time": "2020-02-04T20:00:52.934490Z"
    }
   },
   "outputs": [],
   "source": [
    "for dataset in path_dict:\n",
    "    for i in range(0, len(path_dict[dataset])):\n",
    "        file_path = path_dict[dataset][i]\n",
    "        exec('paths_%s = []'%dataset)\n",
    "        exec('%s_model_list_%s = []'%(dataset, str(i)))\n",
    "        exec('%s_importances_list_%s = []'%(dataset, str(i)))\n",
    "        exec('%s_train_test_list_%s = []'%(dataset, str(i)))\n",
    "        for file in os.listdir(file_path):\n",
    "            if '.' in file:\n",
    "                if file.split(sep='.')[1] == 'joblib':\n",
    "                    if 'importances' in file:\n",
    "                        eval('%s_importances_list_%s.append(file_path + file)'%(dataset, str(i)))\n",
    "                    else:\n",
    "                        eval('%s_model_list_%s.append(file_path + file)'%(dataset, str(i)))\n",
    "            if 'csv' in file:\n",
    "                eval('%s_train_test_list_%s.append(file_path + file)'%(dataset, str(i)))\n",
    "    \n",
    "for file_list in dir():\n",
    "    if file_list[0:13] == 'DRAGON_noVPAS':\n",
    "        paths_DRAGON_noVPAS.append(file_list)\n",
    "    if file_list[0:11] == 'DRAGON_VPAS':\n",
    "        paths_DRAGON_VPAS.append(file_list)\n",
    "    if file_list[0:17] == 'PCA_DRAGON_noVPAS':\n",
    "        paths_PCA_DRAGON_noVPAS.append(file_list)\n",
    "    if file_list[0:15] == 'PCA_DRAGON_VPAS':\n",
    "        paths_PCA_DRAGON_VPAS.append(file_list)\n",
    "    if file_list[0:10] == 'RDKit_VPAS':\n",
    "        paths_RDKit_VPAS.append(file_list)\n",
    "    if file_list[0:12] == 'RDKit_noVPAS':\n",
    "        paths_RDKit_noVPAS.append(file_list)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:53.268581Z",
     "start_time": "2020-02-04T20:00:53.259558Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['RDKit_noVPAS_importances_list_0',\n",
       " 'RDKit_noVPAS_importances_list_1',\n",
       " 'RDKit_noVPAS_importances_list_2',\n",
       " 'RDKit_noVPAS_model_list_0',\n",
       " 'RDKit_noVPAS_model_list_1',\n",
       " 'RDKit_noVPAS_model_list_2',\n",
       " 'RDKit_noVPAS_train_test_list_0',\n",
       " 'RDKit_noVPAS_train_test_list_1',\n",
       " 'RDKit_noVPAS_train_test_list_2']"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "paths_RDKit_noVPAS"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:00:53.418861Z",
     "start_time": "2020-02-04T20:00:53.271589Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['../HLCPredictor_Models/RDKit_noVPAS/set_1/freg_importances.joblib',\n",
       " '../HLCPredictor_Models/RDKit_noVPAS/set_1/lasso_importances.joblib',\n",
       " '../HLCPredictor_Models/RDKit_noVPAS/set_1/model_importances.joblib',\n",
       " '../HLCPredictor_Models/RDKit_noVPAS/set_1/mutual_importances.joblib']"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "RDKit_noVPAS_importances_list_0"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Loading files into this session"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:02:18.269771Z",
     "start_time": "2020-02-04T20:00:53.422872Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "AdaBoostRegressor_kbest_22_01_2020_23_15_56.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/AdaBoostRegressor_kbest_22_01_2020_23_15_56.joblib set_1\n",
      "AdaBoostRegressor_lasso_22_01_2020_23_17_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/AdaBoostRegressor_lasso_22_01_2020_23_17_38.joblib set_1\n",
      "AdaBoostRegressor_model_22_01_2020_23_15_05.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/AdaBoostRegressor_model_22_01_2020_23_15_05.joblib set_1\n",
      "AdaBoostRegressor_mutual_info_22_01_2020_23_16_47.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/AdaBoostRegressor_mutual_info_22_01_2020_23_16_47.joblib set_1\n",
      "DecisionTreeRegressor_kbest_22_01_2020_23_08_02.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/DecisionTreeRegressor_kbest_22_01_2020_23_08_02.joblib set_1\n",
      "DecisionTreeRegressor_lasso_22_01_2020_23_08_55.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/DecisionTreeRegressor_lasso_22_01_2020_23_08_55.joblib set_1\n",
      "DecisionTreeRegressor_model_22_01_2020_22_47_05.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/DecisionTreeRegressor_model_22_01_2020_22_47_05.joblib set_1\n",
      "DecisionTreeRegressor_mutual_info_22_01_2020_23_08_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/DecisionTreeRegressor_mutual_info_22_01_2020_23_08_44.joblib set_1\n",
      "ElasticNet_kbest_23_01_2020_09_20_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/ElasticNet_kbest_23_01_2020_09_20_14.joblib set_1\n",
      "ElasticNet_lasso_23_01_2020_09_20_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/ElasticNet_lasso_23_01_2020_09_20_38.joblib set_1\n",
      "ElasticNet_model_23_01_2020_00_57_00.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/ElasticNet_model_23_01_2020_00_57_00.joblib set_1\n",
      "ElasticNet_mutual_info_23_01_2020_09_20_27.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/ElasticNet_mutual_info_23_01_2020_09_20_27.joblib set_1\n",
      "GradientBoostingRegressor_kbest_22_01_2020_22_19_46.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/GradientBoostingRegressor_kbest_22_01_2020_22_19_46.joblib set_1\n",
      "GradientBoostingRegressor_lasso_22_01_2020_22_30_56.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/GradientBoostingRegressor_lasso_22_01_2020_22_30_56.joblib set_1\n",
      "GradientBoostingRegressor_model_22_01_2020_22_19_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/GradientBoostingRegressor_model_22_01_2020_22_19_39.joblib set_1\n",
      "GradientBoostingRegressor_mutual_info_22_01_2020_22_19_53.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/GradientBoostingRegressor_mutual_info_22_01_2020_22_19_53.joblib set_1\n",
      "Lars_kbest_23_01_2020_00_55_54.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lars_kbest_23_01_2020_00_55_54.joblib set_1\n",
      "Lars_lasso_23_01_2020_00_56_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lars_lasso_23_01_2020_00_56_17.joblib set_1\n",
      "Lars_model_23_01_2020_00_55_43.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lars_model_23_01_2020_00_55_43.joblib set_1\n",
      "Lars_mutual_info_23_01_2020_00_56_06.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lars_mutual_info_23_01_2020_00_56_06.joblib set_1\n",
      "Lasso_kbest_22_01_2020_23_18_15.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lasso_kbest_22_01_2020_23_18_15.joblib set_1\n",
      "Lasso_lasso_22_01_2020_23_18_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lasso_lasso_22_01_2020_23_18_36.joblib set_1\n",
      "Lasso_model_22_01_2020_23_18_04.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lasso_model_22_01_2020_23_18_04.joblib set_1\n",
      "Lasso_mutual_info_22_01_2020_23_18_26.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/Lasso_mutual_info_22_01_2020_23_18_26.joblib set_1\n",
      "RandomForestRegressor_kbest_23_01_2020_00_52_55.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/RandomForestRegressor_kbest_23_01_2020_00_52_55.joblib set_1\n",
      "RandomForestRegressor_lasso_23_01_2020_00_55_01.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/RandomForestRegressor_lasso_23_01_2020_00_55_01.joblib set_1\n",
      "RandomForestRegressor_model_23_01_2020_00_51_52.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/RandomForestRegressor_model_23_01_2020_00_51_52.joblib set_1\n",
      "RandomForestRegressor_mutual_info_23_01_2020_00_53_58.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/RandomForestRegressor_mutual_info_23_01_2020_00_53_58.joblib set_1\n",
      "AdaBoostRegressor_kbest_23_01_2020_10_37_19.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/AdaBoostRegressor_kbest_23_01_2020_10_37_19.joblib set_2\n",
      "AdaBoostRegressor_lasso_23_01_2020_10_38_42.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/AdaBoostRegressor_lasso_23_01_2020_10_38_42.joblib set_2\n",
      "AdaBoostRegressor_model_23_01_2020_10_36_37.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/AdaBoostRegressor_model_23_01_2020_10_36_37.joblib set_2\n",
      "AdaBoostRegressor_mutual_info_23_01_2020_10_38_03.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/AdaBoostRegressor_mutual_info_23_01_2020_10_38_03.joblib set_2\n",
      "DecisionTreeRegressor_kbest_23_01_2020_10_31_35.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/DecisionTreeRegressor_kbest_23_01_2020_10_31_35.joblib set_2\n",
      "DecisionTreeRegressor_lasso_23_01_2020_10_31_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/DecisionTreeRegressor_lasso_23_01_2020_10_31_38.joblib set_2\n",
      "DecisionTreeRegressor_model_23_01_2020_10_31_33.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/DecisionTreeRegressor_model_23_01_2020_10_31_33.joblib set_2\n",
      "DecisionTreeRegressor_mutual_info_23_01_2020_10_31_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/DecisionTreeRegressor_mutual_info_23_01_2020_10_31_36.joblib set_2\n",
      "ElasticNet_kbest_23_01_2020_12_06_41.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/ElasticNet_kbest_23_01_2020_12_06_41.joblib set_2\n",
      "ElasticNet_lasso_23_01_2020_12_06_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/ElasticNet_lasso_23_01_2020_12_06_44.joblib set_2\n",
      "ElasticNet_model_23_01_2020_12_06_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/ElasticNet_model_23_01_2020_12_06_39.joblib set_2\n",
      "ElasticNet_mutual_info_23_01_2020_12_06_43.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/ElasticNet_mutual_info_23_01_2020_12_06_43.joblib set_2\n",
      "GradientBoostingRegressor_kbest_23_01_2020_10_28_56.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/GradientBoostingRegressor_kbest_23_01_2020_10_28_56.joblib set_2\n",
      "GradientBoostingRegressor_lasso_23_01_2020_10_29_09.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/GradientBoostingRegressor_lasso_23_01_2020_10_29_09.joblib set_2\n",
      "GradientBoostingRegressor_model_23_01_2020_10_28_47.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/GradientBoostingRegressor_model_23_01_2020_10_28_47.joblib set_2\n",
      "GradientBoostingRegressor_model_23_01_2020_10_28_50.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/GradientBoostingRegressor_model_23_01_2020_10_28_50.joblib set_2\n",
      "GradientBoostingRegressor_mutual_info_23_01_2020_10_29_03.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/GradientBoostingRegressor_mutual_info_23_01_2020_10_29_03.joblib set_2\n",
      "Lars_kbest_23_01_2020_12_06_11.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lars_kbest_23_01_2020_12_06_11.joblib set_2\n",
      "Lars_lasso_23_01_2020_12_06_15.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lars_lasso_23_01_2020_12_06_15.joblib set_2\n",
      "Lars_model_23_01_2020_12_06_09.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lars_model_23_01_2020_12_06_09.joblib set_2\n",
      "Lars_mutual_info_23_01_2020_12_06_13.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lars_mutual_info_23_01_2020_12_06_13.joblib set_2\n",
      "Lasso_kbest_23_01_2020_10_38_49.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lasso_kbest_23_01_2020_10_38_49.joblib set_2\n",
      "Lasso_lasso_23_01_2020_10_38_52.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lasso_lasso_23_01_2020_10_38_52.joblib set_2\n",
      "Lasso_model_23_01_2020_10_38_48.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lasso_model_23_01_2020_10_38_48.joblib set_2\n",
      "Lasso_mutual_info_23_01_2020_10_38_51.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/Lasso_mutual_info_23_01_2020_10_38_51.joblib set_2\n",
      "RandomForestRegressor_kbest_23_01_2020_12_04_47.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/RandomForestRegressor_kbest_23_01_2020_12_04_47.joblib set_2\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RandomForestRegressor_lasso_23_01_2020_12_05_59.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/RandomForestRegressor_lasso_23_01_2020_12_05_59.joblib set_2\n",
      "RandomForestRegressor_model_23_01_2020_12_04_10.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/RandomForestRegressor_model_23_01_2020_12_04_10.joblib set_2\n",
      "RandomForestRegressor_mutual_info_23_01_2020_12_05_23.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/RandomForestRegressor_mutual_info_23_01_2020_12_05_23.joblib set_2\n",
      "AdaBoostRegressor_kbest_23_01_2020_13_10_42.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/AdaBoostRegressor_kbest_23_01_2020_13_10_42.joblib set_3\n",
      "AdaBoostRegressor_lasso_23_01_2020_13_13_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/AdaBoostRegressor_lasso_23_01_2020_13_13_36.joblib set_3\n",
      "AdaBoostRegressor_model_23_01_2020_13_09_15.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/AdaBoostRegressor_model_23_01_2020_13_09_15.joblib set_3\n",
      "AdaBoostRegressor_mutual_info_23_01_2020_13_11_58.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/AdaBoostRegressor_mutual_info_23_01_2020_13_11_58.joblib set_3\n",
      "DecisionTreeRegressor_kbest_23_01_2020_13_03_04.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/DecisionTreeRegressor_kbest_23_01_2020_13_03_04.joblib set_3\n",
      "DecisionTreeRegressor_lasso_23_01_2020_13_03_07.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/DecisionTreeRegressor_lasso_23_01_2020_13_03_07.joblib set_3\n",
      "DecisionTreeRegressor_model_23_01_2020_13_03_02.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/DecisionTreeRegressor_model_23_01_2020_13_03_02.joblib set_3\n",
      "DecisionTreeRegressor_mutual_info_23_01_2020_13_03_06.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/DecisionTreeRegressor_mutual_info_23_01_2020_13_03_06.joblib set_3\n",
      "ElasticNet_kbest_23_01_2020_14_53_43.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/ElasticNet_kbest_23_01_2020_14_53_43.joblib set_3\n",
      "ElasticNet_lasso_23_01_2020_14_53_46.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/ElasticNet_lasso_23_01_2020_14_53_46.joblib set_3\n",
      "ElasticNet_model_23_01_2020_14_53_41.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/ElasticNet_model_23_01_2020_14_53_41.joblib set_3\n",
      "ElasticNet_mutual_info_23_01_2020_14_53_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/ElasticNet_mutual_info_23_01_2020_14_53_44.joblib set_3\n",
      "GradientBoostingRegressor_kbest_23_01_2020_13_00_12.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/GradientBoostingRegressor_kbest_23_01_2020_13_00_12.joblib set_3\n",
      "GradientBoostingRegressor_lasso_23_01_2020_13_00_24.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/GradientBoostingRegressor_lasso_23_01_2020_13_00_24.joblib set_3\n",
      "GradientBoostingRegressor_model_23_01_2020_13_00_04.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/GradientBoostingRegressor_model_23_01_2020_13_00_04.joblib set_3\n",
      "GradientBoostingRegressor_mutual_info_23_01_2020_13_00_18.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/GradientBoostingRegressor_mutual_info_23_01_2020_13_00_18.joblib set_3\n",
      "Lars_kbest_23_01_2020_14_53_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lars_kbest_23_01_2020_14_53_14.joblib set_3\n",
      "Lars_lasso_23_01_2020_14_53_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lars_lasso_23_01_2020_14_53_17.joblib set_3\n",
      "Lars_model_23_01_2020_14_53_12.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lars_model_23_01_2020_14_53_12.joblib set_3\n",
      "Lars_mutual_info_23_01_2020_14_53_16.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lars_mutual_info_23_01_2020_14_53_16.joblib set_3\n",
      "Lasso_kbest_23_01_2020_13_13_46.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lasso_kbest_23_01_2020_13_13_46.joblib set_3\n",
      "Lasso_lasso_23_01_2020_13_13_50.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lasso_lasso_23_01_2020_13_13_50.joblib set_3\n",
      "Lasso_model_23_01_2020_13_13_43.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lasso_model_23_01_2020_13_13_43.joblib set_3\n",
      "Lasso_mutual_info_23_01_2020_13_13_48.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/Lasso_mutual_info_23_01_2020_13_13_48.joblib set_3\n",
      "RandomForestRegressor_kbest_23_01_2020_14_52_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/RandomForestRegressor_kbest_23_01_2020_14_52_17.joblib set_3\n",
      "RandomForestRegressor_lasso_23_01_2020_14_52_58.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/RandomForestRegressor_lasso_23_01_2020_14_52_58.joblib set_3\n",
      "RandomForestRegressor_model_23_01_2020_14_51_57.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/RandomForestRegressor_model_23_01_2020_14_51_57.joblib set_3\n",
      "RandomForestRegressor_mutual_info_23_01_2020_14_52_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/RandomForestRegressor_mutual_info_23_01_2020_14_52_38.joblib set_3\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/X_test_main.csv set_1\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/X_train_main.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_1/y_train.csv set_1\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/X_test_main.csv set_2\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/X_train_main.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_2/y_train.csv set_2\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/X_test_main.csv set_3\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/X_train_main.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_noVPAS/set_3/y_train.csv set_3\n",
      "AdaBoostRegressor_kbest_25_01_2020_14_30_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/AdaBoostRegressor_kbest_25_01_2020_14_30_36.joblib set_1\n",
      "AdaBoostRegressor_lasso_25_01_2020_14_34_22.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/AdaBoostRegressor_lasso_25_01_2020_14_34_22.joblib set_1\n",
      "AdaBoostRegressor_model_25_01_2020_14_28_35.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/AdaBoostRegressor_model_25_01_2020_14_28_35.joblib set_1\n",
      "AdaBoostRegressor_mutual_info_25_01_2020_14_32_27.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/AdaBoostRegressor_mutual_info_25_01_2020_14_32_27.joblib set_1\n",
      "DecisionTreeRegressor_kbest_25_01_2020_14_21_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/DecisionTreeRegressor_kbest_25_01_2020_14_21_39.joblib set_1\n",
      "DecisionTreeRegressor_lasso_25_01_2020_14_21_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/DecisionTreeRegressor_lasso_25_01_2020_14_21_44.joblib set_1\n",
      "DecisionTreeRegressor_model_25_01_2020_14_21_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/DecisionTreeRegressor_model_25_01_2020_14_21_36.joblib set_1\n",
      "DecisionTreeRegressor_mutual_info_25_01_2020_14_21_41.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/DecisionTreeRegressor_mutual_info_25_01_2020_14_21_41.joblib set_1\n",
      "ElasticNet_kbest_25_01_2020_16_30_51.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/ElasticNet_kbest_25_01_2020_16_30_51.joblib set_1\n",
      "ElasticNet_lasso_25_01_2020_16_30_55.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/ElasticNet_lasso_25_01_2020_16_30_55.joblib set_1\n",
      "ElasticNet_model_25_01_2020_16_30_48.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/ElasticNet_model_25_01_2020_16_30_48.joblib set_1\n",
      "ElasticNet_mutual_info_25_01_2020_16_30_53.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/ElasticNet_mutual_info_25_01_2020_16_30_53.joblib set_1\n",
      "GradientBoostingRegressor_kbest_25_01_2020_14_17_40.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/GradientBoostingRegressor_kbest_25_01_2020_14_17_40.joblib set_1\n",
      "GradientBoostingRegressor_lasso_25_01_2020_14_17_52.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/GradientBoostingRegressor_lasso_25_01_2020_14_17_52.joblib set_1\n",
      "GradientBoostingRegressor_model_25_01_2020_14_17_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/GradientBoostingRegressor_model_25_01_2020_14_17_30.joblib set_1\n",
      "GradientBoostingRegressor_model_25_01_2020_14_17_34.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/GradientBoostingRegressor_model_25_01_2020_14_17_34.joblib set_1\n",
      "GradientBoostingRegressor_mutual_info_25_01_2020_14_17_46.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/GradientBoostingRegressor_mutual_info_25_01_2020_14_17_46.joblib set_1\n",
      "Lars_kbest_25_01_2020_16_30_11.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lars_kbest_25_01_2020_16_30_11.joblib set_1\n",
      "Lars_lasso_25_01_2020_16_30_16.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lars_lasso_25_01_2020_16_30_16.joblib set_1\n",
      "Lars_model_25_01_2020_16_30_09.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lars_model_25_01_2020_16_30_09.joblib set_1\n",
      "Lars_mutual_info_25_01_2020_16_30_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lars_mutual_info_25_01_2020_16_30_14.joblib set_1\n",
      "Lasso_kbest_25_01_2020_14_34_37.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lasso_kbest_25_01_2020_14_34_37.joblib set_1\n",
      "Lasso_lasso_25_01_2020_14_34_41.joblib \n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lasso_lasso_25_01_2020_14_34_41.joblib set_1\n",
      "Lasso_model_25_01_2020_14_34_34.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lasso_model_25_01_2020_14_34_34.joblib set_1\n",
      "Lasso_mutual_info_25_01_2020_14_34_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/Lasso_mutual_info_25_01_2020_14_34_39.joblib set_1\n",
      "RandomForestRegressor_kbest_25_01_2020_16_29_05.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/RandomForestRegressor_kbest_25_01_2020_16_29_05.joblib set_1\n",
      "RandomForestRegressor_lasso_25_01_2020_16_29_58.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/RandomForestRegressor_lasso_25_01_2020_16_29_58.joblib set_1\n",
      "RandomForestRegressor_model_25_01_2020_16_28_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/RandomForestRegressor_model_25_01_2020_16_28_38.joblib set_1\n",
      "RandomForestRegressor_mutual_info_25_01_2020_16_29_31.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/RandomForestRegressor_mutual_info_25_01_2020_16_29_31.joblib set_1\n",
      "AdaBoostRegressor_kbest_25_01_2020_17_51_45.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/AdaBoostRegressor_kbest_25_01_2020_17_51_45.joblib set_2\n",
      "AdaBoostRegressor_lasso_25_01_2020_17_55_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/AdaBoostRegressor_lasso_25_01_2020_17_55_30.joblib set_2\n",
      "AdaBoostRegressor_model_25_01_2020_17_49_53.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/AdaBoostRegressor_model_25_01_2020_17_49_53.joblib set_2\n",
      "AdaBoostRegressor_mutual_info_25_01_2020_17_53_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/AdaBoostRegressor_mutual_info_25_01_2020_17_53_38.joblib set_2\n",
      "DecisionTreeRegressor_kbest_25_01_2020_17_43_16.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/DecisionTreeRegressor_kbest_25_01_2020_17_43_16.joblib set_2\n",
      "DecisionTreeRegressor_lasso_25_01_2020_17_43_21.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/DecisionTreeRegressor_lasso_25_01_2020_17_43_21.joblib set_2\n",
      "DecisionTreeRegressor_model_25_01_2020_17_43_13.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/DecisionTreeRegressor_model_25_01_2020_17_43_13.joblib set_2\n",
      "DecisionTreeRegressor_mutual_info_25_01_2020_17_43_18.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/DecisionTreeRegressor_mutual_info_25_01_2020_17_43_18.joblib set_2\n",
      "ElasticNet_kbest_25_01_2020_19_54_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/ElasticNet_kbest_25_01_2020_19_54_14.joblib set_2\n",
      "ElasticNet_lasso_25_01_2020_19_54_20.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/ElasticNet_lasso_25_01_2020_19_54_20.joblib set_2\n",
      "ElasticNet_model_25_01_2020_19_54_10.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/ElasticNet_model_25_01_2020_19_54_10.joblib set_2\n",
      "ElasticNet_mutual_info_25_01_2020_19_54_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/ElasticNet_mutual_info_25_01_2020_19_54_17.joblib set_2\n",
      "GradientBoostingRegressor_kbest_25_01_2020_17_39_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/GradientBoostingRegressor_kbest_25_01_2020_17_39_30.joblib set_2\n",
      "GradientBoostingRegressor_lasso_25_01_2020_17_39_40.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/GradientBoostingRegressor_lasso_25_01_2020_17_39_40.joblib set_2\n",
      "GradientBoostingRegressor_model_25_01_2020_17_39_25.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/GradientBoostingRegressor_model_25_01_2020_17_39_25.joblib set_2\n",
      "GradientBoostingRegressor_mutual_info_25_01_2020_17_39_35.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/GradientBoostingRegressor_mutual_info_25_01_2020_17_39_35.joblib set_2\n",
      "Lars_kbest_25_01_2020_19_53_27.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lars_kbest_25_01_2020_19_53_27.joblib set_2\n",
      "Lars_lasso_25_01_2020_19_53_33.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lars_lasso_25_01_2020_19_53_33.joblib set_2\n",
      "Lars_model_25_01_2020_19_53_24.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lars_model_25_01_2020_19_53_24.joblib set_2\n",
      "Lars_mutual_info_25_01_2020_19_53_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lars_mutual_info_25_01_2020_19_53_30.joblib set_2\n",
      "Lasso_kbest_25_01_2020_17_55_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lasso_kbest_25_01_2020_17_55_39.joblib set_2\n",
      "Lasso_lasso_25_01_2020_17_55_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lasso_lasso_25_01_2020_17_55_44.joblib set_2\n",
      "Lasso_model_25_01_2020_17_55_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lasso_model_25_01_2020_17_55_36.joblib set_2\n",
      "Lasso_mutual_info_25_01_2020_17_55_41.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/Lasso_mutual_info_25_01_2020_17_55_41.joblib set_2\n",
      "RandomForestRegressor_kbest_25_01_2020_19_51_10.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/RandomForestRegressor_kbest_25_01_2020_19_51_10.joblib set_2\n",
      "RandomForestRegressor_lasso_25_01_2020_19_53_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/RandomForestRegressor_lasso_25_01_2020_19_53_17.joblib set_2\n",
      "RandomForestRegressor_model_25_01_2020_19_50_07.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/RandomForestRegressor_model_25_01_2020_19_50_07.joblib set_2\n",
      "RandomForestRegressor_mutual_info_25_01_2020_19_52_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/RandomForestRegressor_mutual_info_25_01_2020_19_52_14.joblib set_2\n",
      "AdaBoostRegressor_kbest_25_01_2020_21_23_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/AdaBoostRegressor_kbest_25_01_2020_21_23_44.joblib set_3\n",
      "AdaBoostRegressor_lasso_25_01_2020_21_26_14.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/AdaBoostRegressor_lasso_25_01_2020_21_26_14.joblib set_3\n",
      "AdaBoostRegressor_model_25_01_2020_21_22_29.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/AdaBoostRegressor_model_25_01_2020_21_22_29.joblib set_3\n",
      "AdaBoostRegressor_mutual_info_25_01_2020_21_24_58.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/AdaBoostRegressor_mutual_info_25_01_2020_21_24_58.joblib set_3\n",
      "DecisionTreeRegressor_kbest_25_01_2020_21_15_37.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/DecisionTreeRegressor_kbest_25_01_2020_21_15_37.joblib set_3\n",
      "DecisionTreeRegressor_lasso_25_01_2020_21_15_44.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/DecisionTreeRegressor_lasso_25_01_2020_21_15_44.joblib set_3\n",
      "DecisionTreeRegressor_model_25_01_2020_21_15_34.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/DecisionTreeRegressor_model_25_01_2020_21_15_34.joblib set_3\n",
      "DecisionTreeRegressor_mutual_info_25_01_2020_21_15_40.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/DecisionTreeRegressor_mutual_info_25_01_2020_21_15_40.joblib set_3\n",
      "ElasticNet_kbest_25_01_2020_23_34_25.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/ElasticNet_kbest_25_01_2020_23_34_25.joblib set_3\n",
      "ElasticNet_lasso_25_01_2020_23_34_32.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/ElasticNet_lasso_25_01_2020_23_34_32.joblib set_3\n",
      "ElasticNet_model_25_01_2020_23_34_22.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/ElasticNet_model_25_01_2020_23_34_22.joblib set_3\n",
      "ElasticNet_mutual_info_25_01_2020_23_34_29.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/ElasticNet_mutual_info_25_01_2020_23_34_29.joblib set_3\n",
      "GradientBoostingRegressor_kbest_25_01_2020_21_11_15.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/GradientBoostingRegressor_kbest_25_01_2020_21_11_15.joblib set_3\n",
      "GradientBoostingRegressor_lasso_25_01_2020_21_11_38.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/GradientBoostingRegressor_lasso_25_01_2020_21_11_38.joblib set_3\n",
      "GradientBoostingRegressor_model_25_01_2020_21_11_03.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/GradientBoostingRegressor_model_25_01_2020_21_11_03.joblib set_3\n",
      "GradientBoostingRegressor_mutual_info_25_01_2020_21_11_26.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/GradientBoostingRegressor_mutual_info_25_01_2020_21_11_26.joblib set_3\n",
      "Lars_kbest_25_01_2020_23_33_33.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lars_kbest_25_01_2020_23_33_33.joblib set_3\n",
      "Lars_lasso_25_01_2020_23_33_39.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lars_lasso_25_01_2020_23_33_39.joblib set_3\n",
      "Lars_model_25_01_2020_23_33_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lars_model_25_01_2020_23_33_30.joblib set_3\n",
      "Lars_mutual_info_25_01_2020_23_33_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lars_mutual_info_25_01_2020_23_33_36.joblib set_3\n",
      "Lasso_kbest_25_01_2020_21_26_30.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lasso_kbest_25_01_2020_21_26_30.joblib set_3\n",
      "Lasso_lasso_25_01_2020_21_26_37.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lasso_lasso_25_01_2020_21_26_37.joblib set_3\n",
      "Lasso_model_25_01_2020_21_26_27.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lasso_model_25_01_2020_21_26_27.joblib set_3\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Lasso_mutual_info_25_01_2020_21_26_34.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/Lasso_mutual_info_25_01_2020_21_26_34.joblib set_3\n",
      "RandomForestRegressor_kbest_25_01_2020_23_32_09.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/RandomForestRegressor_kbest_25_01_2020_23_32_09.joblib set_3\n",
      "RandomForestRegressor_lasso_25_01_2020_23_33_17.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/RandomForestRegressor_lasso_25_01_2020_23_33_17.joblib set_3\n",
      "RandomForestRegressor_model_25_01_2020_23_31_36.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/RandomForestRegressor_model_25_01_2020_23_31_36.joblib set_3\n",
      "RandomForestRegressor_mutual_info_25_01_2020_23_32_43.joblib \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/RandomForestRegressor_mutual_info_25_01_2020_23_32_43.joblib set_3\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/X_test_main.csv set_1\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/X_train_main.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_1/y_train.csv set_1\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/X_test_main.csv set_2\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/X_train_main.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_2/y_train.csv set_2\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/X_test_main.csv set_3\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/X_train_main.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/DRAGON_VPAS/set_3/y_train.csv set_3\n",
      "AdaBoostRegressor__23_01_2020_16_57_52.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/AdaBoostRegressor__23_01_2020_16_57_52.joblib set_1\n",
      "DecisionTreeRegressor__23_01_2020_16_42_27.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/DecisionTreeRegressor__23_01_2020_16_42_27.joblib set_1\n",
      "ElasticNet__23_01_2020_22_08_27.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/ElasticNet__23_01_2020_22_08_27.joblib set_1\n",
      "GradientBoostingRegressor__23_01_2020_16_39_15.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/GradientBoostingRegressor__23_01_2020_16_39_15.joblib set_1\n",
      "Lars__23_01_2020_22_07_43.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/Lars__23_01_2020_22_07_43.joblib set_1\n",
      "Lasso__23_01_2020_16_57_56.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/Lasso__23_01_2020_16_57_56.joblib set_1\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/pca_fit.joblib set_1\n",
      "RandomForestRegressor__23_01_2020_22_07_23.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/RandomForestRegressor__23_01_2020_22_07_23.joblib set_1\n",
      "AdaBoostRegressor__24_01_2020_01_52_40.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/AdaBoostRegressor__24_01_2020_01_52_40.joblib set_2\n",
      "DecisionTreeRegressor__24_01_2020_01_35_55.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/DecisionTreeRegressor__24_01_2020_01_35_55.joblib set_2\n",
      "ElasticNet__24_01_2020_07_16_29.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/ElasticNet__24_01_2020_07_16_29.joblib set_2\n",
      "GradientBoostingRegressor__24_01_2020_01_32_37.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/GradientBoostingRegressor__24_01_2020_01_32_37.joblib set_2\n",
      "Lars__24_01_2020_07_15_40.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/Lars__24_01_2020_07_15_40.joblib set_2\n",
      "Lasso__24_01_2020_01_52_47.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/Lasso__24_01_2020_01_52_47.joblib set_2\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/pca_fit.joblib set_2\n",
      "RandomForestRegressor__24_01_2020_07_15_16.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/RandomForestRegressor__24_01_2020_07_15_16.joblib set_2\n",
      "AdaBoostRegressor__24_01_2020_18_26_51.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/AdaBoostRegressor__24_01_2020_18_26_51.joblib set_3\n",
      "DecisionTreeRegressor__24_01_2020_18_12_37.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/DecisionTreeRegressor__24_01_2020_18_12_37.joblib set_3\n",
      "ElasticNet__24_01_2020_23_56_16.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/ElasticNet__24_01_2020_23_56_16.joblib set_3\n",
      "GradientBoostingRegressor__24_01_2020_18_09_02.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/GradientBoostingRegressor__24_01_2020_18_09_02.joblib set_3\n",
      "Lars__24_01_2020_23_55_28.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/Lars__24_01_2020_23_55_28.joblib set_3\n",
      "Lasso__24_01_2020_18_26_56.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/Lasso__24_01_2020_18_26_56.joblib set_3\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/pca_fit.joblib set_3\n",
      "RandomForestRegressor__24_01_2020_23_55_20.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/RandomForestRegressor__24_01_2020_23_55_20.joblib set_3\n",
      "expvcalc_AdaBoostRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_AdaBoostRegressor.csv set_1\n",
      "expvcalc_DecisionTreeRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_DecisionTreeRegressor.csv set_1\n",
      "expvcalc_ElasticNet.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_ElasticNet.csv set_1\n",
      "expvcalc_GradientBoostingRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_GradientBoostingRegressor.csv set_1\n",
      "expvcalc_Lars.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_Lars.csv set_1\n",
      "expvcalc_Lasso.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_Lasso.csv set_1\n",
      "expvcalc_RandomForestRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/expvcalc_RandomForestRegressor.csv set_1\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/pca_all_data.csv set_1\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/X_test.csv set_1\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/X_train.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_1/y_train.csv set_1\n",
      "expvcalc_AdaBoostRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_AdaBoostRegressor.csv set_2\n",
      "expvcalc_DecisionTreeRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_DecisionTreeRegressor.csv set_2\n",
      "expvcalc_ElasticNet.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_ElasticNet.csv set_2\n",
      "expvcalc_GradientBoostingRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_GradientBoostingRegressor.csv set_2\n",
      "expvcalc_Lars.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_Lars.csv set_2\n",
      "expvcalc_Lasso.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_Lasso.csv set_2\n",
      "expvcalc_RandomForestRegressor.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/expvcalc_RandomForestRegressor.csv set_2\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/pca_all_data.csv set_2\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/X_test.csv set_2\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/X_train.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_2/y_train.csv set_2\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/pca_all_data.csv set_3\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/X_test.csv set_3\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/X_train.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_noVPAS/set_3/y_train.csv set_3\n",
      "AdaBoostRegressor__26_01_2020_03_44_24.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/AdaBoostRegressor__26_01_2020_03_44_24.joblib set_1\n",
      "DecisionTreeRegressor__26_01_2020_03_21_27.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/DecisionTreeRegressor__26_01_2020_03_21_27.joblib set_1\n",
      "ElasticNet__26_01_2020_12_59_54.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/ElasticNet__26_01_2020_12_59_54.joblib set_1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "GradientBoostingRegressor__26_01_2020_03_15_54.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/GradientBoostingRegressor__26_01_2020_03_15_54.joblib set_1\n",
      "Lars__26_01_2020_12_58_41.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/Lars__26_01_2020_12_58_41.joblib set_1\n",
      "Lasso__26_01_2020_03_44_29.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/Lasso__26_01_2020_03_44_29.joblib set_1\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/pca_fit.joblib set_1\n",
      "RandomForestRegressor__26_01_2020_12_58_25.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/RandomForestRegressor__26_01_2020_12_58_25.joblib set_1\n",
      "AdaBoostRegressor__26_01_2020_16_17_46.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/AdaBoostRegressor__26_01_2020_16_17_46.joblib set_2\n",
      "DecisionTreeRegressor__26_01_2020_15_54_15.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/DecisionTreeRegressor__26_01_2020_15_54_15.joblib set_2\n",
      "ElasticNet__27_01_2020_00_37_56.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/ElasticNet__27_01_2020_00_37_56.joblib set_2\n",
      "GradientBoostingRegressor__26_01_2020_15_49_37.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/GradientBoostingRegressor__26_01_2020_15_49_37.joblib set_2\n",
      "Lars__27_01_2020_00_36_45.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/Lars__27_01_2020_00_36_45.joblib set_2\n",
      "Lasso__26_01_2020_16_17_50.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/Lasso__26_01_2020_16_17_50.joblib set_2\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/pca_fit.joblib set_2\n",
      "RandomForestRegressor__27_01_2020_00_36_41.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/RandomForestRegressor__27_01_2020_00_36_41.joblib set_2\n",
      "AdaBoostRegressor__27_01_2020_11_09_47.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/AdaBoostRegressor__27_01_2020_11_09_47.joblib set_3\n",
      "DecisionTreeRegressor__27_01_2020_10_44_12.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/DecisionTreeRegressor__27_01_2020_10_44_12.joblib set_3\n",
      "ElasticNet__27_01_2020_19_20_09.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/ElasticNet__27_01_2020_19_20_09.joblib set_3\n",
      "GradientBoostingRegressor__27_01_2020_10_38_26.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/GradientBoostingRegressor__27_01_2020_10_38_26.joblib set_3\n",
      "Lars__27_01_2020_19_19_11.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/Lars__27_01_2020_19_19_11.joblib set_3\n",
      "Lasso__27_01_2020_11_09_51.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/Lasso__27_01_2020_11_09_51.joblib set_3\n",
      "pca_fit.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/pca_fit.joblib set_3\n",
      "RandomForestRegressor__27_01_2020_19_18_46.joblib \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/RandomForestRegressor__27_01_2020_19_18_46.joblib set_3\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/pca_all_data.csv set_1\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/X_test.csv set_1\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/X_train.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_1/y_train.csv set_1\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/pca_all_data.csv set_2\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/X_test.csv set_2\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/X_train.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_2/y_train.csv set_2\n",
      "pca_all_data.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/pca_all_data.csv set_3\n",
      "X_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/X_test.csv set_3\n",
      "X_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/X_train.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/PCA_DRAGON_VPAS/set_3/y_train.csv set_3\n",
      "AdaBoostRegressor_kbest_27_01_2020_20_21_44.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/AdaBoostRegressor_kbest_27_01_2020_20_21_44.joblib set_1\n",
      "AdaBoostRegressor_lasso_27_01_2020_20_23_35.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/AdaBoostRegressor_lasso_27_01_2020_20_23_35.joblib set_1\n",
      "AdaBoostRegressor_model_27_01_2020_20_20_49.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/AdaBoostRegressor_model_27_01_2020_20_20_49.joblib set_1\n",
      "AdaBoostRegressor_mutual_info_27_01_2020_20_22_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/AdaBoostRegressor_mutual_info_27_01_2020_20_22_40.joblib set_1\n",
      "DecisionTreeRegressor_kbest_27_01_2020_20_14_38.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/DecisionTreeRegressor_kbest_27_01_2020_20_14_38.joblib set_1\n",
      "DecisionTreeRegressor_lasso_27_01_2020_20_14_42.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/DecisionTreeRegressor_lasso_27_01_2020_20_14_42.joblib set_1\n",
      "DecisionTreeRegressor_model_27_01_2020_20_14_37.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/DecisionTreeRegressor_model_27_01_2020_20_14_37.joblib set_1\n",
      "DecisionTreeRegressor_mutual_info_27_01_2020_20_14_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/DecisionTreeRegressor_mutual_info_27_01_2020_20_14_40.joblib set_1\n",
      "ElasticNet_kbest_27_01_2020_22_06_50.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/ElasticNet_kbest_27_01_2020_22_06_50.joblib set_1\n",
      "ElasticNet_lasso_27_01_2020_22_06_54.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/ElasticNet_lasso_27_01_2020_22_06_54.joblib set_1\n",
      "ElasticNet_model_27_01_2020_22_06_48.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/ElasticNet_model_27_01_2020_22_06_48.joblib set_1\n",
      "ElasticNet_mutual_info_27_01_2020_22_06_52.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/ElasticNet_mutual_info_27_01_2020_22_06_52.joblib set_1\n",
      "GradientBoostingRegressor_kbest_27_01_2020_20_11_54.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/GradientBoostingRegressor_kbest_27_01_2020_20_11_54.joblib set_1\n",
      "GradientBoostingRegressor_lasso_27_01_2020_20_12_02.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/GradientBoostingRegressor_lasso_27_01_2020_20_12_02.joblib set_1\n",
      "GradientBoostingRegressor_model_27_01_2020_20_11_50.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/GradientBoostingRegressor_model_27_01_2020_20_11_50.joblib set_1\n",
      "GradientBoostingRegressor_mutual_info_27_01_2020_20_11_58.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/GradientBoostingRegressor_mutual_info_27_01_2020_20_11_58.joblib set_1\n",
      "Lars_kbest_27_01_2020_22_06_22.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lars_kbest_27_01_2020_22_06_22.joblib set_1\n",
      "Lars_lasso_27_01_2020_22_06_26.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lars_lasso_27_01_2020_22_06_26.joblib set_1\n",
      "Lars_model_27_01_2020_22_06_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lars_model_27_01_2020_22_06_20.joblib set_1\n",
      "Lars_mutual_info_27_01_2020_22_06_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lars_mutual_info_27_01_2020_22_06_24.joblib set_1\n",
      "Lasso_kbest_27_01_2020_20_23_46.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lasso_kbest_27_01_2020_20_23_46.joblib set_1\n",
      "Lasso_lasso_27_01_2020_20_23_51.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lasso_lasso_27_01_2020_20_23_51.joblib set_1\n",
      "Lasso_model_27_01_2020_20_23_43.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lasso_model_27_01_2020_20_23_43.joblib set_1\n",
      "Lasso_mutual_info_27_01_2020_20_23_48.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/Lasso_mutual_info_27_01_2020_20_23_48.joblib set_1\n",
      "RandomForestRegressor_kbest_27_01_2020_22_05_15.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/RandomForestRegressor_kbest_27_01_2020_22_05_15.joblib set_1\n",
      "RandomForestRegressor_lasso_27_01_2020_22_05_53.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/RandomForestRegressor_lasso_27_01_2020_22_05_53.joblib set_1\n",
      "RandomForestRegressor_model_27_01_2020_22_04_56.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/RandomForestRegressor_model_27_01_2020_22_04_56.joblib set_1\n",
      "RandomForestRegressor_mutual_info_27_01_2020_22_05_34.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/RandomForestRegressor_mutual_info_27_01_2020_22_05_34.joblib set_1\n",
      "AdaBoostRegressor_kbest_27_01_2020_23_13_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/AdaBoostRegressor_kbest_27_01_2020_23_13_28.joblib set_2\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "AdaBoostRegressor_lasso_27_01_2020_23_15_12.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/AdaBoostRegressor_lasso_27_01_2020_23_15_12.joblib set_2\n",
      "AdaBoostRegressor_model_27_01_2020_23_12_36.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/AdaBoostRegressor_model_27_01_2020_23_12_36.joblib set_2\n",
      "AdaBoostRegressor_mutual_info_27_01_2020_23_14_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/AdaBoostRegressor_mutual_info_27_01_2020_23_14_20.joblib set_2\n",
      "DecisionTreeRegressor_kbest_27_01_2020_23_05_22.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/DecisionTreeRegressor_kbest_27_01_2020_23_05_22.joblib set_2\n",
      "DecisionTreeRegressor_lasso_27_01_2020_23_05_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/DecisionTreeRegressor_lasso_27_01_2020_23_05_28.joblib set_2\n",
      "DecisionTreeRegressor_model_27_01_2020_23_05_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/DecisionTreeRegressor_model_27_01_2020_23_05_20.joblib set_2\n",
      "DecisionTreeRegressor_mutual_info_27_01_2020_23_05_25.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/DecisionTreeRegressor_mutual_info_27_01_2020_23_05_25.joblib set_2\n",
      "ElasticNet_kbest_28_01_2020_01_05_55.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/ElasticNet_kbest_28_01_2020_01_05_55.joblib set_2\n",
      "ElasticNet_lasso_28_01_2020_01_06_00.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/ElasticNet_lasso_28_01_2020_01_06_00.joblib set_2\n",
      "ElasticNet_model_28_01_2020_01_05_53.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/ElasticNet_model_28_01_2020_01_05_53.joblib set_2\n",
      "ElasticNet_mutual_info_28_01_2020_01_05_58.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/ElasticNet_mutual_info_28_01_2020_01_05_58.joblib set_2\n",
      "GradientBoostingRegressor_kbest_27_01_2020_23_01_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/GradientBoostingRegressor_kbest_27_01_2020_23_01_40.joblib set_2\n",
      "GradientBoostingRegressor_lasso_27_01_2020_23_02_05.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/GradientBoostingRegressor_lasso_27_01_2020_23_02_05.joblib set_2\n",
      "GradientBoostingRegressor_model_27_01_2020_23_01_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/GradientBoostingRegressor_model_27_01_2020_23_01_28.joblib set_2\n",
      "GradientBoostingRegressor_mutual_info_27_01_2020_23_01_52.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/GradientBoostingRegressor_mutual_info_27_01_2020_23_01_52.joblib set_2\n",
      "Lars_kbest_28_01_2020_01_05_22.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lars_kbest_28_01_2020_01_05_22.joblib set_2\n",
      "Lars_lasso_28_01_2020_01_05_27.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lars_lasso_28_01_2020_01_05_27.joblib set_2\n",
      "Lars_model_28_01_2020_01_05_19.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lars_model_28_01_2020_01_05_19.joblib set_2\n",
      "Lars_mutual_info_28_01_2020_01_05_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lars_mutual_info_28_01_2020_01_05_24.joblib set_2\n",
      "Lasso_kbest_27_01_2020_23_15_21.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lasso_kbest_27_01_2020_23_15_21.joblib set_2\n",
      "Lasso_lasso_27_01_2020_23_15_26.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lasso_lasso_27_01_2020_23_15_26.joblib set_2\n",
      "Lasso_model_27_01_2020_23_15_18.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lasso_model_27_01_2020_23_15_18.joblib set_2\n",
      "Lasso_mutual_info_27_01_2020_23_15_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/Lasso_mutual_info_27_01_2020_23_15_24.joblib set_2\n",
      "RandomForestRegressor_kbest_28_01_2020_01_04_17.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/RandomForestRegressor_kbest_28_01_2020_01_04_17.joblib set_2\n",
      "RandomForestRegressor_lasso_28_01_2020_01_05_04.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/RandomForestRegressor_lasso_28_01_2020_01_05_04.joblib set_2\n",
      "RandomForestRegressor_model_28_01_2020_01_03_54.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/RandomForestRegressor_model_28_01_2020_01_03_54.joblib set_2\n",
      "RandomForestRegressor_mutual_info_28_01_2020_01_04_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/RandomForestRegressor_mutual_info_28_01_2020_01_04_40.joblib set_2\n",
      "AdaBoostRegressor_kbest_28_01_2020_13_18_22.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/AdaBoostRegressor_kbest_28_01_2020_13_18_22.joblib set_3\n",
      "AdaBoostRegressor_lasso_28_01_2020_13_21_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/AdaBoostRegressor_lasso_28_01_2020_13_21_40.joblib set_3\n",
      "AdaBoostRegressor_model_28_01_2020_13_16_44.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/AdaBoostRegressor_model_28_01_2020_13_16_44.joblib set_3\n",
      "AdaBoostRegressor_mutual_info_28_01_2020_13_20_01.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/AdaBoostRegressor_mutual_info_28_01_2020_13_20_01.joblib set_3\n",
      "DecisionTreeRegressor_kbest_28_01_2020_13_09_05.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/DecisionTreeRegressor_kbest_28_01_2020_13_09_05.joblib set_3\n",
      "DecisionTreeRegressor_lasso_28_01_2020_13_09_10.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/DecisionTreeRegressor_lasso_28_01_2020_13_09_10.joblib set_3\n",
      "DecisionTreeRegressor_model_28_01_2020_13_09_02.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/DecisionTreeRegressor_model_28_01_2020_13_09_02.joblib set_3\n",
      "DecisionTreeRegressor_mutual_info_28_01_2020_13_09_07.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/DecisionTreeRegressor_mutual_info_28_01_2020_13_09_07.joblib set_3\n",
      "ElasticNet_kbest_28_01_2020_15_12_51.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/ElasticNet_kbest_28_01_2020_15_12_51.joblib set_3\n",
      "ElasticNet_lasso_28_01_2020_15_12_55.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/ElasticNet_lasso_28_01_2020_15_12_55.joblib set_3\n",
      "ElasticNet_model_28_01_2020_15_12_49.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/ElasticNet_model_28_01_2020_15_12_49.joblib set_3\n",
      "ElasticNet_mutual_info_28_01_2020_15_12_53.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/ElasticNet_mutual_info_28_01_2020_15_12_53.joblib set_3\n",
      "GradientBoostingRegressor_kbest_28_01_2020_13_05_17.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/GradientBoostingRegressor_kbest_28_01_2020_13_05_17.joblib set_3\n",
      "GradientBoostingRegressor_lasso_28_01_2020_13_05_35.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/GradientBoostingRegressor_lasso_28_01_2020_13_05_35.joblib set_3\n",
      "GradientBoostingRegressor_model_28_01_2020_13_05_08.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/GradientBoostingRegressor_model_28_01_2020_13_05_08.joblib set_3\n",
      "GradientBoostingRegressor_mutual_info_28_01_2020_13_05_26.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/GradientBoostingRegressor_mutual_info_28_01_2020_13_05_26.joblib set_3\n",
      "Lars_kbest_28_01_2020_15_12_25.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lars_kbest_28_01_2020_15_12_25.joblib set_3\n",
      "Lars_lasso_28_01_2020_15_12_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lars_lasso_28_01_2020_15_12_28.joblib set_3\n",
      "Lars_model_28_01_2020_15_12_23.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lars_model_28_01_2020_15_12_23.joblib set_3\n",
      "Lars_mutual_info_28_01_2020_15_12_26.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lars_mutual_info_28_01_2020_15_12_26.joblib set_3\n",
      "Lasso_kbest_28_01_2020_13_21_49.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lasso_kbest_28_01_2020_13_21_49.joblib set_3\n",
      "Lasso_lasso_28_01_2020_13_21_54.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lasso_lasso_28_01_2020_13_21_54.joblib set_3\n",
      "Lasso_model_28_01_2020_13_21_47.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lasso_model_28_01_2020_13_21_47.joblib set_3\n",
      "Lasso_mutual_info_28_01_2020_13_21_52.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/Lasso_mutual_info_28_01_2020_13_21_52.joblib set_3\n",
      "RandomForestRegressor_kbest_28_01_2020_15_10_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/RandomForestRegressor_kbest_28_01_2020_15_10_24.joblib set_3\n",
      "RandomForestRegressor_lasso_28_01_2020_15_12_11.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/RandomForestRegressor_lasso_28_01_2020_15_12_11.joblib set_3\n",
      "RandomForestRegressor_model_28_01_2020_15_09_33.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/RandomForestRegressor_model_28_01_2020_15_09_33.joblib set_3\n",
      "RandomForestRegressor_mutual_info_28_01_2020_15_11_16.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/RandomForestRegressor_mutual_info_28_01_2020_15_11_16.joblib set_3\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/X_test_main.csv set_1\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/X_train_main.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_1/y_train.csv set_1\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/X_test_main.csv set_2\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/X_train_main.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_2/y_train.csv set_2\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/X_test_main.csv set_3\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/X_train_main.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_noVPAS/set_3/y_train.csv set_3\n",
      "AdaBoostRegressor_kbest_28_01_2020_20_19_05.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/AdaBoostRegressor_kbest_28_01_2020_20_19_05.joblib set_1\n",
      "AdaBoostRegressor_lasso_28_01_2020_20_24_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/AdaBoostRegressor_lasso_28_01_2020_20_24_20.joblib set_1\n",
      "AdaBoostRegressor_model_28_01_2020_20_16_29.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/AdaBoostRegressor_model_28_01_2020_20_16_29.joblib set_1\n",
      "AdaBoostRegressor_mutual_info_28_01_2020_20_21_43.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/AdaBoostRegressor_mutual_info_28_01_2020_20_21_43.joblib set_1\n",
      "DecisionTreeRegressor_kbest_28_01_2020_20_05_55.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/DecisionTreeRegressor_kbest_28_01_2020_20_05_55.joblib set_1\n",
      "DecisionTreeRegressor_lasso_28_01_2020_20_06_03.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/DecisionTreeRegressor_lasso_28_01_2020_20_06_03.joblib set_1\n",
      "DecisionTreeRegressor_model_28_01_2020_20_05_51.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/DecisionTreeRegressor_model_28_01_2020_20_05_51.joblib set_1\n",
      "DecisionTreeRegressor_mutual_info_28_01_2020_20_05_59.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/DecisionTreeRegressor_mutual_info_28_01_2020_20_05_59.joblib set_1\n",
      "ElasticNet_kbest_28_01_2020_22_53_02.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/ElasticNet_kbest_28_01_2020_22_53_02.joblib set_1\n",
      "ElasticNet_lasso_28_01_2020_22_53_10.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/ElasticNet_lasso_28_01_2020_22_53_10.joblib set_1\n",
      "ElasticNet_model_28_01_2020_22_52_58.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/ElasticNet_model_28_01_2020_22_52_58.joblib set_1\n",
      "ElasticNet_mutual_info_28_01_2020_22_53_07.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/ElasticNet_mutual_info_28_01_2020_22_53_07.joblib set_1\n",
      "GradientBoostingRegressor_kbest_28_01_2020_20_00_52.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/GradientBoostingRegressor_kbest_28_01_2020_20_00_52.joblib set_1\n",
      "GradientBoostingRegressor_lasso_28_01_2020_20_01_19.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/GradientBoostingRegressor_lasso_28_01_2020_20_01_19.joblib set_1\n",
      "GradientBoostingRegressor_model_28_01_2020_20_00_39.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/GradientBoostingRegressor_model_28_01_2020_20_00_39.joblib set_1\n",
      "GradientBoostingRegressor_mutual_info_28_01_2020_20_01_05.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/GradientBoostingRegressor_mutual_info_28_01_2020_20_01_05.joblib set_1\n",
      "Lars_kbest_28_01_2020_22_52_17.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lars_kbest_28_01_2020_22_52_17.joblib set_1\n",
      "Lars_lasso_28_01_2020_22_52_25.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lars_lasso_28_01_2020_22_52_25.joblib set_1\n",
      "Lars_model_28_01_2020_22_52_14.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lars_model_28_01_2020_22_52_14.joblib set_1\n",
      "Lars_mutual_info_28_01_2020_22_52_21.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lars_mutual_info_28_01_2020_22_52_21.joblib set_1\n",
      "Lasso_kbest_28_01_2020_20_24_32.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lasso_kbest_28_01_2020_20_24_32.joblib set_1\n",
      "Lasso_lasso_28_01_2020_20_24_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lasso_lasso_28_01_2020_20_24_40.joblib set_1\n",
      "Lasso_model_28_01_2020_20_24_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lasso_model_28_01_2020_20_24_28.joblib set_1\n",
      "Lasso_mutual_info_28_01_2020_20_24_36.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/Lasso_mutual_info_28_01_2020_20_24_36.joblib set_1\n",
      "RandomForestRegressor_kbest_28_01_2020_22_49_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/RandomForestRegressor_kbest_28_01_2020_22_49_24.joblib set_1\n",
      "RandomForestRegressor_lasso_28_01_2020_22_51_41.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/RandomForestRegressor_lasso_28_01_2020_22_51_41.joblib set_1\n",
      "RandomForestRegressor_model_28_01_2020_22_48_17.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/RandomForestRegressor_model_28_01_2020_22_48_17.joblib set_1\n",
      "RandomForestRegressor_mutual_info_28_01_2020_22_50_33.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/RandomForestRegressor_mutual_info_28_01_2020_22_50_33.joblib set_1\n",
      "AdaBoostRegressor_kbest_29_01_2020_01_43_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/AdaBoostRegressor_kbest_29_01_2020_01_43_20.joblib set_2\n",
      "AdaBoostRegressor_lasso_29_01_2020_01_45_58.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/AdaBoostRegressor_lasso_29_01_2020_01_45_58.joblib set_2\n",
      "AdaBoostRegressor_model_29_01_2020_01_42_00.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/AdaBoostRegressor_model_29_01_2020_01_42_00.joblib set_2\n",
      "AdaBoostRegressor_mutual_info_29_01_2020_01_44_39.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/AdaBoostRegressor_mutual_info_29_01_2020_01_44_39.joblib set_2\n",
      "DecisionTreeRegressor_kbest_29_01_2020_01_32_27.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/DecisionTreeRegressor_kbest_29_01_2020_01_32_27.joblib set_2\n",
      "DecisionTreeRegressor_lasso_29_01_2020_01_32_34.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/DecisionTreeRegressor_lasso_29_01_2020_01_32_34.joblib set_2\n",
      "DecisionTreeRegressor_model_29_01_2020_01_32_23.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/DecisionTreeRegressor_model_29_01_2020_01_32_23.joblib set_2\n",
      "DecisionTreeRegressor_mutual_info_29_01_2020_01_32_31.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/DecisionTreeRegressor_mutual_info_29_01_2020_01_32_31.joblib set_2\n",
      "ElasticNet_kbest_29_01_2020_04_34_32.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/ElasticNet_kbest_29_01_2020_04_34_32.joblib set_2\n",
      "ElasticNet_lasso_29_01_2020_04_34_40.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/ElasticNet_lasso_29_01_2020_04_34_40.joblib set_2\n",
      "ElasticNet_model_29_01_2020_04_34_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/ElasticNet_model_29_01_2020_04_34_28.joblib set_2\n",
      "ElasticNet_mutual_info_29_01_2020_04_34_36.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/ElasticNet_mutual_info_29_01_2020_04_34_36.joblib set_2\n",
      "GradientBoostingRegressor_kbest_29_01_2020_01_27_21.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/GradientBoostingRegressor_kbest_29_01_2020_01_27_21.joblib set_2\n",
      "GradientBoostingRegressor_lasso_29_01_2020_01_27_38.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/GradientBoostingRegressor_lasso_29_01_2020_01_27_38.joblib set_2\n",
      "GradientBoostingRegressor_model_29_01_2020_01_27_12.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/GradientBoostingRegressor_model_29_01_2020_01_27_12.joblib set_2\n",
      "GradientBoostingRegressor_mutual_info_29_01_2020_01_27_29.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/GradientBoostingRegressor_mutual_info_29_01_2020_01_27_29.joblib set_2\n",
      "Lars_kbest_29_01_2020_04_33_13.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lars_kbest_29_01_2020_04_33_13.joblib set_2\n",
      "Lars_lasso_29_01_2020_04_33_21.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lars_lasso_29_01_2020_04_33_21.joblib set_2\n",
      "Lars_model_29_01_2020_04_33_09.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lars_model_29_01_2020_04_33_09.joblib set_2\n",
      "Lars_mutual_info_29_01_2020_04_33_17.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lars_mutual_info_29_01_2020_04_33_17.joblib set_2\n",
      "Lasso_kbest_29_01_2020_01_46_16.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lasso_kbest_29_01_2020_01_46_16.joblib set_2\n",
      "Lasso_lasso_29_01_2020_01_46_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lasso_lasso_29_01_2020_01_46_24.joblib set_2\n",
      "Lasso_model_29_01_2020_01_46_12.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lasso_model_29_01_2020_01_46_12.joblib set_2\n",
      "Lasso_mutual_info_29_01_2020_01_46_20.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/Lasso_mutual_info_29_01_2020_01_46_20.joblib set_2\n",
      "RandomForestRegressor_kbest_29_01_2020_04_26_04.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/RandomForestRegressor_kbest_29_01_2020_04_26_04.joblib set_2\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RandomForestRegressor_lasso_29_01_2020_04_32_35.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/RandomForestRegressor_lasso_29_01_2020_04_32_35.joblib set_2\n",
      "RandomForestRegressor_model_29_01_2020_04_22_50.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/RandomForestRegressor_model_29_01_2020_04_22_50.joblib set_2\n",
      "RandomForestRegressor_mutual_info_29_01_2020_04_29_19.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/RandomForestRegressor_mutual_info_29_01_2020_04_29_19.joblib set_2\n",
      "AdaBoostRegressor_kbest_29_01_2020_11_22_36.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/AdaBoostRegressor_kbest_29_01_2020_11_22_36.joblib set_3\n",
      "AdaBoostRegressor_lasso_29_01_2020_11_24_48.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/AdaBoostRegressor_lasso_29_01_2020_11_24_48.joblib set_3\n",
      "AdaBoostRegressor_model_29_01_2020_11_21_28.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/AdaBoostRegressor_model_29_01_2020_11_21_28.joblib set_3\n",
      "AdaBoostRegressor_mutual_info_29_01_2020_11_23_42.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/AdaBoostRegressor_mutual_info_29_01_2020_11_23_42.joblib set_3\n",
      "DecisionTreeRegressor_kbest_29_01_2020_11_13_59.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/DecisionTreeRegressor_kbest_29_01_2020_11_13_59.joblib set_3\n",
      "DecisionTreeRegressor_lasso_29_01_2020_11_14_06.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/DecisionTreeRegressor_lasso_29_01_2020_11_14_06.joblib set_3\n",
      "DecisionTreeRegressor_model_29_01_2020_11_13_56.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/DecisionTreeRegressor_model_29_01_2020_11_13_56.joblib set_3\n",
      "DecisionTreeRegressor_mutual_info_29_01_2020_11_14_03.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/DecisionTreeRegressor_mutual_info_29_01_2020_11_14_03.joblib set_3\n",
      "ElasticNet_kbest_29_01_2020_13_47_25.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/ElasticNet_kbest_29_01_2020_13_47_25.joblib set_3\n",
      "ElasticNet_lasso_29_01_2020_13_47_33.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/ElasticNet_lasso_29_01_2020_13_47_33.joblib set_3\n",
      "ElasticNet_model_29_01_2020_13_47_21.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/ElasticNet_model_29_01_2020_13_47_21.joblib set_3\n",
      "ElasticNet_mutual_info_29_01_2020_13_47_29.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/ElasticNet_mutual_info_29_01_2020_13_47_29.joblib set_3\n",
      "GradientBoostingRegressor_kbest_29_01_2020_11_09_24.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/GradientBoostingRegressor_kbest_29_01_2020_11_09_24.joblib set_3\n",
      "GradientBoostingRegressor_lasso_29_01_2020_11_09_51.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/GradientBoostingRegressor_lasso_29_01_2020_11_09_51.joblib set_3\n",
      "GradientBoostingRegressor_model_29_01_2020_11_09_10.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/GradientBoostingRegressor_model_29_01_2020_11_09_10.joblib set_3\n",
      "GradientBoostingRegressor_mutual_info_29_01_2020_11_09_37.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/GradientBoostingRegressor_mutual_info_29_01_2020_11_09_37.joblib set_3\n",
      "Lars_kbest_29_01_2020_13_46_39.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lars_kbest_29_01_2020_13_46_39.joblib set_3\n",
      "Lars_lasso_29_01_2020_13_46_47.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lars_lasso_29_01_2020_13_46_47.joblib set_3\n",
      "Lars_model_29_01_2020_13_46_35.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lars_model_29_01_2020_13_46_35.joblib set_3\n",
      "Lars_mutual_info_29_01_2020_13_46_43.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lars_mutual_info_29_01_2020_13_46_43.joblib set_3\n",
      "Lasso_kbest_29_01_2020_11_24_59.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lasso_kbest_29_01_2020_11_24_59.joblib set_3\n",
      "Lasso_lasso_29_01_2020_11_25_06.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lasso_lasso_29_01_2020_11_25_06.joblib set_3\n",
      "Lasso_model_29_01_2020_11_24_55.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lasso_model_29_01_2020_11_24_55.joblib set_3\n",
      "Lasso_mutual_info_29_01_2020_11_25_02.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/Lasso_mutual_info_29_01_2020_11_25_02.joblib set_3\n",
      "RandomForestRegressor_kbest_29_01_2020_13_45_02.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/RandomForestRegressor_kbest_29_01_2020_13_45_02.joblib set_3\n",
      "RandomForestRegressor_lasso_29_01_2020_13_46_16.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/RandomForestRegressor_lasso_29_01_2020_13_46_16.joblib set_3\n",
      "RandomForestRegressor_model_29_01_2020_13_44_25.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/RandomForestRegressor_model_29_01_2020_13_44_25.joblib set_3\n",
      "RandomForestRegressor_mutual_info_29_01_2020_13_45_39.joblib \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/RandomForestRegressor_mutual_info_29_01_2020_13_45_39.joblib set_3\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/X_test_main.csv set_1\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/X_train_main.csv set_1\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/y_test.csv set_1\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_1/y_train.csv set_1\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/X_test_main.csv set_2\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/X_train_main.csv set_2\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/y_test.csv set_2\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_2/y_train.csv set_2\n",
      "X_test_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/X_test_main.csv set_3\n",
      "X_train_main.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/X_train_main.csv set_3\n",
      "y_test.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/y_test.csv set_3\n",
      "y_train.csv \n",
      "\t ../HLCPredictor_Models/RDKit_VPAS/set_3/y_train.csv set_3\n"
     ]
    }
   ],
   "source": [
    "for dataset in path_dict:\n",
    "    for file_list in eval('paths_%s'%dataset):\n",
    "        file_path_list = (eval(file_list))\n",
    "        for file in file_path_list:\n",
    "            filename = (file.split(sep='/')[4])\n",
    "            set_n = (file.split(sep='/')[3])\n",
    "            if not 'importances' in filename:\n",
    "                print(filename, \"\\n\\t\", file, set_n)\n",
    "                if not 'csv' in filename:\n",
    "                    if not 'pca_fit' in filename:\n",
    "                        model = (filename.split(sep='_')[0])\n",
    "                        features = filename.split(sep='_')[1]\n",
    "                        #print('%s_%s_%s_%s = joblib.load(file)'%(dataset, model, features, set_n), \"\\n\\t\", file)\n",
    "                        exec('%s_%s_%s_%s = joblib.load(file)'%(dataset, model, features, set_n))\n",
    "            if 'importances' in filename:\n",
    "                #print(filename, set_n, \"\\n\", file)\n",
    "                imp_type = filename.split(sep='_')[0]\n",
    "                exec('%s_importances_%s_%s = joblib.load(file)'%(dataset, imp_type, set_n))\n",
    "            if 'csv' in filename:\n",
    "                data_type = (filename.split(sep='.')[0])\n",
    "                if 'X' in filename:\n",
    "                    exec('%s_data_%s_%s = pd.read_csv(file)'%(dataset, data_type, set_n))\n",
    "                if 'y' in filename:\n",
    "                    exec('%s_data_%s_%s = pd.read_csv(file, header=None)'%(dataset, data_type, set_n))\n",
    "                    exec('%s_data_%s_%s.drop(0, axis=1, inplace=True)'%(dataset, data_type, set_n))\n",
    "            if 'pca_fit' in filename:\n",
    "                data_type = filename.split(sep='.')[0]\n",
    "                exec('%s_data_%s_%s = joblib.load(file)'%(dataset, data_type, set_n))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:02:18.278795Z",
     "start_time": "2020-02-04T20:02:18.273782Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['../HLCPredictor_Models/DRAGON_noVPAS/set_2/X_test_main.csv',\n",
       " '../HLCPredictor_Models/DRAGON_noVPAS/set_2/X_train_main.csv',\n",
       " '../HLCPredictor_Models/DRAGON_noVPAS/set_2/y_test.csv',\n",
       " '../HLCPredictor_Models/DRAGON_noVPAS/set_2/y_train.csv']"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "DRAGON_noVPAS_train_test_list_1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:02:18.492670Z",
     "start_time": "2020-02-04T20:02:18.282806Z"
    }
   },
   "outputs": [],
   "source": [
    "model_types = ['GradientBoostingRegressor', 'DecisionTreeRegressor', \n",
    "               'ElasticNet', 'AdaBoostRegressor', \n",
    "               'Lars', 'Lasso', 'RandomForestRegressor']\n",
    "dataset_types = ['DRAGON_noVPAS', 'DRAGON_VPAS', 'PCA_DRAGON_noVPAS', 'PCA_DRAGON_VPAS', 'RDKit_VPAS', 'RDKit_noVPAS']\n",
    "set_n_types = ['set_1', 'set_2', 'set_3']\n",
    "feature_sets = ['model', 'freg', 'mutual', 'lasso']\n",
    "feature_model_sets = ['model', 'kbest', 'mutual', 'lasso']\n",
    "feature_name_link_dict = dict(zip(feature_sets, feature_model_sets))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Export average train and test scores"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:02:59.549079Z",
     "start_time": "2020-02-04T20:02:18.497692Z"
    },
    "code_folding": []
   },
   "outputs": [],
   "source": [
    "ave_train_scores = [] ; ave_test_scores = [] ; ave_model_list = []\n",
    "for Dataset in dataset_types:\n",
    "    if 'PCA' in Dataset:\n",
    "        for Model in model_types:\n",
    "            set_train_scores = [] ; set_test_scores = []\n",
    "            for Set in set_n_types:\n",
    "                i = Set.split(sep='_')[1]\n",
    "                X_train_ = eval(Dataset + \"_data_X_train_\" + Set)\n",
    "                X_train = X_train_.drop('Unnamed: 0', axis=1)\n",
    "                X_test_ = eval(Dataset + \"_data_X_test_\" + Set)\n",
    "                X_test = X_test_.drop('Unnamed: 0', axis=1)\n",
    "                y_train = eval(Dataset + \"_data_\" + 'y_train'  + \"_\" + Set)\n",
    "                y_test = eval(Dataset + \"_data_\" + 'y_test'  + \"_\" + Set)\n",
    "                model = eval(Dataset + \"_\" + Model + \"__\" + Set)\n",
    "                set_train_scores.append(np.array(model.score(X_train, y_train)))\n",
    "                set_test_scores.append(np.array(model.score(X_test, y_test)))\n",
    "            ave_train_scores.append(np.mean(set_train_scores))\n",
    "            ave_test_scores.append(np.mean(set_test_scores))\n",
    "            ave_model_list.append(Dataset + \"_\" + Model)\n",
    "    if not 'PCA' in Dataset:\n",
    "        for Model in model_types:\n",
    "            for feature_set in feature_sets:\n",
    "                set_train_scores = []; set_test_scores = []\n",
    "                for Set in set_n_types:\n",
    "                    #print(Dataset, Model, feature_set, Set)\n",
    "                    X_train_ = eval(Dataset + \"_data_X_train_main_\" + Set)\n",
    "                    X_train = X_train_.drop('Unnamed: 0', axis=1)\n",
    "                    X_test_ = eval(Dataset + \"_data_X_test_main_\" + Set)\n",
    "                    X_test = X_test_.drop('Unnamed: 0', axis=1)\n",
    "                    y_train = eval(Dataset + \"_data_\" + 'y_train'  + \"_\" + Set)\n",
    "                    y_test = eval(Dataset + \"_data_\" + 'y_test'  + \"_\" + Set)\n",
    "                    model = eval(Dataset + \"_\" + Model + \"_\" + feature_name_link_dict[feature_set] + \"_\" + Set)\n",
    "                    chosen_features = list(eval(Dataset + \"_importances_\" + feature_set + \"_\" + Set).nlargest(15).index.values)\n",
    "                    set_train_scores.append(model.score(X_train[chosen_features], y_train))\n",
    "                    set_test_scores.append(model.score(X_test[chosen_features], y_test))\n",
    "                ave_train_scores.append(np.mean(set_train_scores))\n",
    "                ave_test_scores.append(np.mean(set_test_scores))\n",
    "                ave_model_list.append(Dataset + \"_\" + Model + \"_\" + feature_set)\n",
    "\n",
    "#av_models_DRAGON_noVPAS = pd.DataFrame(np.array(ave_model_list[0:28]).reshape(7, 4))\n",
    "#av_models_DRAGON_VPAS = pd.DataFrame(np.array(ave_model_list[28:56]).reshape(7, 4))\n",
    "#av_models_PCA_DRAGON_noVPAS = pd.DataFrame(np.array(ave_model_list[56:63]).reshape(7))\n",
    "#av_models_PCA_DRAGON_VPAS = pd.DataFrame(np.array(ave_model_list[63:70]).reshape(7))\n",
    "#av_models_RDKit_VPAS = pd.DataFrame(np.array(ave_model_list[70:98]).reshape(7, 4))\n",
    "#av_models_RDKit_noVPAS = pd.DataFrame(np.array(ave_model_list[98:126]).reshape(7, 4))\n",
    "\n",
    "av_train_DRAGON_noVPAS = pd.DataFrame(np.array(ave_train_scores[0:28]).reshape(7, 4))\n",
    "av_train_DRAGON_VPAS = pd.DataFrame(np.array(ave_train_scores[28:56]).reshape(7, 4))\n",
    "av_train_PCA_DRAGON_noVPAS = pd.DataFrame(np.array(ave_train_scores[56:63]).reshape(7))\n",
    "av_train_PCA_DRAGON_VPAS = pd.DataFrame(np.array(ave_train_scores[63:70]).reshape(7))\n",
    "av_train_RDKit_VPAS = pd.DataFrame(np.array(ave_train_scores[70:98]).reshape(7, 4))\n",
    "av_train_RDKit_noVPAS = pd.DataFrame(np.array(ave_train_scores[98:126]).reshape(7, 4))\n",
    "\n",
    "av_test_DRAGON_noVPAS = pd.DataFrame(np.array(ave_test_scores[0:28]).reshape(7, 4))\n",
    "av_test_DRAGON_VPAS = pd.DataFrame(np.array(ave_test_scores[28:56]).reshape(7, 4))\n",
    "av_test_PCA_DRAGON_noVPAS = pd.DataFrame(np.array(ave_test_scores[56:63]).reshape(7))\n",
    "av_test_PCA_DRAGON_VPAS = pd.DataFrame(np.array(ave_test_scores[63:70]).reshape(7))\n",
    "av_test_RDKit_VPAS = pd.DataFrame(np.array(ave_test_scores[70:98]).reshape(7, 4))\n",
    "av_test_RDKit_noVPAS = pd.DataFrame(np.array(ave_test_scores[98:126]).reshape(7, 4))\n",
    "\n",
    "for obj in dir():\n",
    "    if obj[0:9] == 'av_models':\n",
    "        df = eval(obj)\n",
    "        df.rename({0:'GradientBoostingRegressor',\n",
    "                   1:'DecisionTreeRegressor',\n",
    "                   2:'ElasticNet',\n",
    "                   3:'AdaBoostRegressor',\n",
    "                   4:'Lars',\n",
    "                   5:'Lasso',\n",
    "                   6:'RandomForestRegressor'}, inplace=True)\n",
    "        if not 'PCA' in obj:\n",
    "            df.rename({0:'Model', 1:'F-regression', 2:'Mutual Information', 3:'Lasso'}, inplace=True, axis=1)\n",
    "        else:\n",
    "            df.rename({0:'PCA'}, axis=1, inplace=True)\n",
    "    if obj[0:8] == 'av_train':\n",
    "        df = eval(obj)\n",
    "        df.rename({0:'GradientBoostingRegressor',\n",
    "                   1:'DecisionTreeRegressor',\n",
    "                   2:'ElasticNet',\n",
    "                   3:'AdaBoostRegressor',\n",
    "                   4:'Lars',\n",
    "                   5:'Lasso',\n",
    "                   6:'RandomForestRegressor'}, inplace=True)\n",
    "        if not 'PCA' in obj:\n",
    "            df.rename({0:'Model', 1:'F-regression', 2:'Mutual Information', 3:'Lasso'}, inplace=True, axis=1)\n",
    "        else:\n",
    "            df.rename({0:'PCA'}, axis=1, inplace=True)\n",
    "        diss_df = df.round(3)\n",
    "        diss_df.to_csv('diss_scores/%s.csv'%obj)\n",
    "        df.to_csv('scores/%s.csv'%obj)\n",
    "    if obj[0:7] == 'av_test':\n",
    "        df = eval(obj)\n",
    "        df.rename({0:'GradientBoostingRegressor',\n",
    "                   1:'DecisionTreeRegressor',\n",
    "                   2:'ElasticNet',\n",
    "                   3:'AdaBoostRegressor',\n",
    "                   4:'Lars',\n",
    "                   5:'Lasso',\n",
    "                   6:'RandomForestRegressor'}, inplace=True)\n",
    "        if not 'PCA' in obj:\n",
    "            df.rename({0:'Model', 1:'F-regression', 2:'Mutual Information', 3:'Lasso'}, inplace=True, axis=1)\n",
    "        else:\n",
    "            df.rename({0:'PCA'}, axis=1, inplace=True)\n",
    "        diss_df = df.round(3)\n",
    "        diss_df.to_csv('diss_scores/%s.csv'%obj)\n",
    "        df.to_csv('scores/%s.csv'%obj)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:02:59.589521Z",
     "start_time": "2020-02-04T20:02:59.552180Z"
    }
   },
   "outputs": [],
   "source": [
    "for Dataset in dataset_types:\n",
    "    for obj in dir():\n",
    "        if Dataset in obj:\n",
    "            if obj.endswith(\"train_\" + Dataset):\n",
    "                df_train = eval(obj)\n",
    "            if obj.endswith(\"test_\" + Dataset):\n",
    "                df_test = eval(obj)\n",
    "    exec(\"train_test_scores_%s = pd.concat([av_train_%s, av_test_%s], axis=1, keys=['Train', 'Test'])\"%(Dataset, Dataset, Dataset))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Widget"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:03:06.511577Z",
     "start_time": "2020-02-04T20:02:59.592442Z"
    },
    "code_folding": [
     10,
     41
    ],
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "5c4c916b7cb2431fb9159f72e7fb3523",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "interactive(children=(Dropdown(description='Dataset', options=('DRAGON_noVPAS', 'DRAGON_VPAS', 'PCA_DRAGON_noV…"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "@widgets.interact()\n",
    "def show_model(Dataset = dataset_types,\n",
    "               Model = model_types,\n",
    "               Features = feature_sets,\n",
    "              Show_Features = False):\n",
    "    widget_av_train = eval(\"train_test_scores_\" + Dataset)\n",
    "    display(widget_av_train)\n",
    "    fig, axs = plt.subplots(2, 4, figsize=(20, 10))\n",
    "    ax_num = 1\n",
    "    if 'PCA' in Dataset:\n",
    "        X_train_holder = 'X_train'\n",
    "        X_test_holder = 'X_test'\n",
    "        Features = 'PCA'\n",
    "        \n",
    "        for Set in set_n_types:\n",
    "            X_train_ = eval(Dataset + \"_data_\" + X_train_holder  + \"_\" + Set)\n",
    "            X_train = X_train_.drop('Unnamed: 0', axis=1)\n",
    "            X_test_ = eval(Dataset + \"_data_\" + X_test_holder  + \"_\" + Set)\n",
    "            X_test = X_test_.drop('Unnamed: 0', axis=1)\n",
    "            y_train = eval(Dataset + \"_data_\" + 'y_train'  + \"_\" + Set)\n",
    "            y_test = eval(Dataset + \"_data_\" + 'y_test'  + \"_\" + Set)\n",
    "            chosen_model = eval(Dataset + \"_\" + Model + \"__\" + Set)\n",
    "            train_predictions = chosen_model.predict(X_train)\n",
    "            test_predictions = chosen_model.predict(X_test)\n",
    "            axs[0, ax_num].scatter(y_train, train_predictions, s=3, c='b')\n",
    "            axs[0, ax_num].set_title(Set)\n",
    "            axs[0, ax_num].set_xlabel('Expected log($K_H$)')\n",
    "            axs[0, ax_num].set_ylabel('Predicted log($K_H$)')\n",
    "            axs[1, ax_num].scatter(y_test, test_predictions, s=3, c='r')\n",
    "            axs[1, ax_num].set_xlabel('Expected log($K_H$)')\n",
    "            axs[1, ax_num].set_ylabel('Predicted log($K_H$)')\n",
    "\n",
    "            ax_num += 1\n",
    "        axs[0, 0].text(0.4, 0.4, 'Train data', fontsize=22)\n",
    "        axs[0, 0].get_xaxis().set_visible(False)\n",
    "        axs[0, 0].get_yaxis().set_visible(False)\n",
    "        axs[1, 0].text(0.4, 0.4, 'Test data', fontsize=22)\n",
    "        axs[1, 0].get_xaxis().set_visible(False)\n",
    "        axs[1, 0].get_yaxis().set_visible(False)\n",
    "        \n",
    "    else:\n",
    "        X_train_holder = 'X_train_main'\n",
    "        X_test_holder = 'X_test_main'\n",
    "        for Set in set_n_types:\n",
    "            # point widget at correct dataset/model/feature set\n",
    "            X_train = eval(Dataset + \"_data_\" + X_train_holder  + \"_\" + Set)\n",
    "            X_test = eval(Dataset + \"_data_\" + X_test_holder  + \"_\" + Set)\n",
    "            y_train = eval(Dataset + \"_data_\" + 'y_train'  + \"_\" + Set)\n",
    "            y_test = eval(Dataset + \"_data_\" + 'y_test'  + \"_\" + Set)\n",
    "\n",
    "            chosen_model = eval(Dataset + \"_\" + Model + \"_\" + feature_name_link_dict[Features] + \"_\" + Set)\n",
    "            feature_set = list(eval(Dataset + \"_importances_\" + Features + \"_\" + Set).nlargest(15).index.values)\n",
    "\n",
    "            # add feature lists as numpy array, then turn into a (3, 5) dataframe\n",
    "            if Show_Features == True:\n",
    "                feature_df = pd.DataFrame(np.array(feature_set).reshape(3, 5))\n",
    "                feature_df.rename({0:'Most Imporant', 1:'', 2:Set, 3:'', 4:'Least Important'},\n",
    "                                  axis=1, inplace=True)\n",
    "                exec('feature_df_%s = feature_df'%Set)\n",
    "            \n",
    "            \n",
    "            train_predictions = chosen_model.predict(X_train[feature_set])\n",
    "            test_predictions = chosen_model.predict(X_test[feature_set])\n",
    "            axs[0, ax_num].scatter(y_train, train_predictions, s=3, c='b')\n",
    "            axs[0, ax_num].set_title(Set, fontsize=20)\n",
    "            axs[0, ax_num].set_xlabel('Expected log($K_H$)')\n",
    "            axs[0, ax_num].set_ylabel('Predicted log($K_H$)')\n",
    "            axs[1, ax_num].scatter(y_test, test_predictions, s=3, c='r')\n",
    "            axs[1, ax_num].set_xlabel('Expected log($K_H$)')\n",
    "            axs[1, ax_num].set_ylabel('Predicted log($K_H$)')\n",
    "\n",
    "            ax_num += 1\n",
    "        axs[0, 0].text(0.4, 0.4, 'Train data', fontsize=22)\n",
    "        axs[0, 0].get_xaxis().set_visible(False)\n",
    "        axs[0, 0].get_yaxis().set_visible(False)\n",
    "        axs[1, 0].text(0.4, 0.4, 'Test data', fontsize=22)\n",
    "        axs[1, 0].get_xaxis().set_visible(False)\n",
    "        axs[1, 0].get_yaxis().set_visible(False)\n",
    "            \n",
    "    if not 'PCA' in Dataset:\n",
    "        if Show_Features == True:\n",
    "            for Set in set_n_types:\n",
    "                display(eval('feature_df_%s'%Set))\n",
    "    plt.show()\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "non-constant variance - [heteroscatisity](http://www.statsmakemecry.com/smmctheblog/confusing-stats-terms-explained-heteroscedasticity-heteroske.html)\n",
    "see if any models can deal with non constant variance\n",
    "comment on growing error with low Kh - limiting factors?\n",
    "\n",
    "PCA - skree plot of variance covered by components, seems similar to the feature importance graph?\n",
    "\n",
    "for diss:\n",
    "- comment on the notebooks themselves, how I've put my UI together etc\n",
    "- on chemical background, explain important features in some detail - if i can\n",
    "- when setting context - why are HLCs useful\n",
    "\n",
    "talk about thermodynamic cycle - solid to gas to solution\n",
    " lattice energy, hydration energy etc - must consider crystal \n",
    "\n",
    "add supp. material containing datasets and notebooks\n",
    " \n",
    "future work - look into solubility data, construct a cycle of solubilty for species to better describe the species activity"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Scree plot for PCA\n",
    "Showing how much variance is explained as more components are added"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:03:06.750570Z",
     "start_time": "2020-02-04T20:03:06.514583Z"
    }
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.plot(np.cumsum(PCA_DRAGON_VPAS_data_pca_fit_set_1.explained_variance_ratio_))\n",
    "plt.xlabel('Number of principal components')\n",
    "plt.ylabel('Total explained variance ratio')\n",
    "plt.title('Variance explained by components')\n",
    "\n",
    "plt.savefig('scree_plot.png')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:03:06.761564Z",
     "start_time": "2020-02-04T20:03:06.754546Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.6849954252076154"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "np.sum(PCA_DRAGON_VPAS_data_pca_fit_set_1.explained_variance_ratio_)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T20:03:07.091148Z",
     "start_time": "2020-02-04T20:03:06.764573Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "AdaBoostRegressor(base_estimator=ExtraTreesRegressor(bootstrap=False,\n",
       "                                                     criterion='mse',\n",
       "                                                     max_depth=None,\n",
       "                                                     max_features='log2',\n",
       "                                                     max_leaf_nodes=None,\n",
       "                                                     min_impurity_decrease=0.0,\n",
       "                                                     min_impurity_split=None,\n",
       "                                                     min_samples_leaf=1,\n",
       "                                                     min_samples_split=2,\n",
       "                                                     min_weight_fraction_leaf=0.0,\n",
       "                                                     n_estimators=5,\n",
       "                                                     n_jobs=None,\n",
       "                                                     oob_score=False,\n",
       "                                                     random_state=None,\n",
       "                                                     verbose=0,\n",
       "                                                     warm_start=False),\n",
       "                  learning_rate=0.3, loss='linear', n_estimators=100,\n",
       "                  random_state=None)"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "DRAGON_VPAS_AdaBoostRegressor_model_set_1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 65,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T21:57:11.113242Z",
     "start_time": "2020-02-04T21:57:11.027639Z"
    }
   },
   "outputs": [],
   "source": [
    "#pretty_fig_data = DRAGON_VPAS_data_X_train_main_set_1.drop('Unnamed: 0', axis=1, inplace=True)\n",
    "pretty_fig_data.head()\n",
    "pretty_fig_features = list(DRAGON_VPAS_importances_model_set_1.nlargest(15).index.values)\n",
    "pretty_fig_data = pretty_fig_data[pretty_fig_features]\n",
    "pretty_fig_exp_values = np.array(DRAGON_VPAS_data_y_train_set_1.iloc[:, 0])\n",
    "model = DRAGON_VPAS_GradientBoostingRegressor_model_set_1\n",
    "pretty_fig_predictions = model.predict(pretty_fig_data)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 67,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2020-02-04T21:57:21.178927Z",
     "start_time": "2020-02-04T21:57:20.771846Z"
    }
   },
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "dfb85356a2c34073874f781f76bf57ff",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "interactive(children=(Dropdown(description='colour_by', options=('TPSA(NO)', 'P_VSA_p_2', 'Me', 'nHDon', 'F01[…"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "@widgets.interact()\n",
    "def plot_scatter_colour(colour_by = pretty_fig_features,\n",
    "                        colour_type = ['tab10', 'rainbow']):\n",
    "    fig = plt.figure(figsize=(10, 7))\n",
    "    fig = plt.scatter(pretty_fig_exp_values, pretty_fig_predictions,\n",
    "                      c = pretty_fig_data[colour_by],\n",
    "                      cmap = colour_type)\n",
    "    plt.colorbar()\n",
    "    plt.xlabel('Experimental')\n",
    "    plt.ylabel('Predicted')\n",
    "    plt.title('Predited vs experimental $log(K_H)$')\n",
    "    plt.show()"
   ]
  }
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