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LSTM-Mol-Generation

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LSTM-Mol-Generation
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{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [],
   "source": [
    "df = pd.read_csv('bace_probab.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(array([ 1.,  1.,  3.,  3.,  3.,  0.,  3.,  3.,  3.,  5.,  8.,  7.,  7.,\n",
       "         3., 11., 27.,  3.,  7.,  1.,  1.]),\n",
       " array([0.3483777 , 0.37580438, 0.40323105, 0.43065773, 0.4580844 ,\n",
       "        0.48551108, 0.51293775, 0.54036443, 0.5677911 , 0.59521778,\n",
       "        0.62264445, 0.65007113, 0.6774978 , 0.70492448, 0.73235115,\n",
       "        0.75977783, 0.7872045 , 0.81463118, 0.84205785, 0.86948453,\n",
       "        0.8969112 ]),\n",
       " <BarContainer object of 20 artists>)"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "import matplotlib.pyplot as plt\n",
    "plt.title('Probability Distribution of BACE')\n",
    "plt.hist(df.Probability, bins = 20)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "myenv",
   "language": "python",
   "name": "myenv"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.8.8"
  },
  "orig_nbformat": 4
 },
 "nbformat": 4,
 "nbformat_minor": 2
}