03_AnOxPePred_Predictor.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np, pandas as pd, tensorflow as tf\n",
    "import os\n",
    "import AnOxPePred_funcs as AOf\n",
    "\n",
    "from importlib import reload"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Load inputs"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "# Load inputs\n",
    "home_path = ''\n",
    "fasta_input = os.path.join(home_path, 'Data', 'Interesting_peptides.fsa')\n",
    "embedding_file = os.path.join(home_path, 'Data', 'One-hot_encoding.txt')\n",
    "weights_files = os.path.join(home_path, 'Result', 'AnOxPePred_v1')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Initiate model"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\TobiasHO\\Anaconda3\\envs\\TF_env\\lib\\site-packages\\tensorflow\\python\\ops\\gradients_impl.py:110: UserWarning: Converting sparse IndexedSlices to a dense Tensor of unknown shape. This may consume a large amount of memory.\n",
      "  \"Converting sparse IndexedSlices to a dense Tensor of unknown shape. \"\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "<tensorflow.python.training.checkpointable.util.CheckpointLoadStatus at 0x2220b787320>"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Ensure there is no previous model saved\n",
    "AnOxPePred_model = 'model'\n",
    "tf.keras.backend.clear_session()\n",
    "del AnOxPePred_model\n",
    "\n",
    "# Load in the model and initiate it with fit (weights have to be initiated before you can load other weights over them)\n",
    "AnOxPePred_model = AOf.create_AnOxPePred_v1({'y_out': 2})\n",
    "AnOxPePred_model.fit(np.ones([2,30,20]), np.ones([2,2]), epochs=1 ,verbose=0)\n",
    "\n",
    "# Load in the correct weights from a trained model\n",
    "AnOxPePred_model.load_weights(weights_files)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Run Predictions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "b_array = np.array(['LNIQFNIPTPKLC', 'CPFSSDDQFCLKVGV', 'FCLKVGVVHQNGKRRLALVKDNP','FCLKVGVIHQNGKRRLALVK', 'SSDDQFCLKVGVV',\n",
    "                    'KKPVSKDSPETYEEALKRFAKLLSDRKKL', 'DSPETYEEALKRFAKLLSD', 'FDVIGGTSTGGLLTAMITTPNENNRP',  \n",
    "                    'GIKGIIPAIILEFLEGQLQEVDNNKDAR', 'CCHHPLLLLLLA'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
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       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Name</th>\n",
       "      <th>Sequence</th>\n",
       "      <th>FRS</th>\n",
       "      <th>Chel</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>14-alpha</td>\n",
       "      <td>AKDIVPFYFEHGPHIFN</td>\n",
       "      <td>0.602204</td>\n",
       "      <td>0.188200</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>13-alpha</td>\n",
       "      <td>NRPFAAAKDIVPFYFEHGPHIFN</td>\n",
       "      <td>0.523179</td>\n",
       "      <td>0.215385</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>48</th>\n",
       "      <td>58-AMP</td>\n",
       "      <td>FKIVKSSKIGYNLLSCPFTSIIC</td>\n",
       "      <td>0.498899</td>\n",
       "      <td>0.147476</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>29-beta</td>\n",
       "      <td>IGSSSHFGPHIFEGELLNIQFDIS</td>\n",
       "      <td>0.480209</td>\n",
       "      <td>0.232103</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>17-alpha</td>\n",
       "      <td>KYDGKYLMQVLQE</td>\n",
       "      <td>0.476868</td>\n",
       "      <td>0.196073</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>46</th>\n",
       "      <td>56-AMP</td>\n",
       "      <td>KGCLVHLISAIYLCFLIKCSSK</td>\n",
       "      <td>0.476693</td>\n",
       "      <td>0.141178</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>57</th>\n",
       "      <td>68-AMP</td>\n",
       "      <td>FASIRSLNYKQLLLLSLG</td>\n",
       "      <td>0.473538</td>\n",
       "      <td>0.220085</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>54</th>\n",
       "      <td>65-AMP</td>\n",
       "      <td>RIISIGRGALGGDVYLGKS</td>\n",
       "      <td>0.469130</td>\n",
       "      <td>0.179100</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>36-gamma</td>\n",
       "      <td>FDVIGGTSTGGLLTAMITTPNENNRP</td>\n",
       "      <td>0.465277</td>\n",
       "      <td>0.179562</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>43</th>\n",
       "      <td>52-AMP</td>\n",
       "      <td>FCLKVGVIHQNGKRRLALVK</td>\n",
       "      <td>0.457819</td>\n",
       "      <td>0.205531</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>16-alpha</td>\n",
       "      <td>ILEFLEGQLQEVDN</td>\n",
       "      <td>0.457296</td>\n",
       "      <td>0.239883</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1-gamma</td>\n",
       "      <td>GIKGIIPAIILEFLEGQLQEVDNNKDAR</td>\n",
       "      <td>0.454689</td>\n",
       "      <td>0.163872</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>38-gamma</td>\n",
       "      <td>FCLKVGVVHQNGKRRLALVKDNP</td>\n",
       "      <td>0.447740</td>\n",
       "      <td>0.161489</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>37-gamma</td>\n",
       "      <td>LLTAMITTPNENNRP</td>\n",
       "      <td>0.444977</td>\n",
       "      <td>0.240024</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>51</th>\n",
       "      <td>62-AMP</td>\n",
       "      <td>IPTPKLCVSYTIWKVGNINAPL</td>\n",
       "      <td>0.443686</td>\n",
       "      <td>0.109738</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>15-alpha</td>\n",
       "      <td>IPATILEFLEGQLQEVDNN</td>\n",
       "      <td>0.437612</td>\n",
       "      <td>0.249733</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>31-beta</td>\n",
       "      <td>LGGDVYLGKSPNSDAPCP</td>\n",
       "      <td>0.436552</td>\n",
       "      <td>0.206055</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>52</th>\n",
       "      <td>63-AMP</td>\n",
       "      <td>VKLCVSYRNWKVGNLNAHL</td>\n",
       "      <td>0.432839</td>\n",
       "      <td>0.132191</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>44</th>\n",
       "      <td>53-AMP</td>\n",
       "      <td>CLRKGKGCLVHLISAIY</td>\n",
       "      <td>0.427327</td>\n",
       "      <td>0.155932</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>39</th>\n",
       "      <td>48-gamma</td>\n",
       "      <td>GIIPATILEFLEGQLQEVDNN</td>\n",
       "      <td>0.405301</td>\n",
       "      <td>0.218542</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>55</th>\n",
       "      <td>66-AMP</td>\n",
       "      <td>VLSIDGGGIKGIIPGII</td>\n",
       "      <td>0.402012</td>\n",
       "      <td>0.190400</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>47</th>\n",
       "      <td>57-AMP</td>\n",
       "      <td>GHPLRIGQRYIINNPLIGAGAV</td>\n",
       "      <td>0.401398</td>\n",
       "      <td>0.159749</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36</th>\n",
       "      <td>45-gamma</td>\n",
       "      <td>VGVVIQNGKRR</td>\n",
       "      <td>0.400801</td>\n",
       "      <td>0.190427</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>20-beta</td>\n",
       "      <td>ELDSRLSYRIISTFWGALGGDVYLGKSPN</td>\n",
       "      <td>0.386744</td>\n",
       "      <td>0.166717</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>43-gamma</td>\n",
       "      <td>NPNSSYRIISI</td>\n",
       "      <td>0.383784</td>\n",
       "      <td>0.180387</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>60</th>\n",
       "      <td>71-AMP</td>\n",
       "      <td>IICLRCPEDQFCAKVGVVIQNGK</td>\n",
       "      <td>0.374200</td>\n",
       "      <td>0.178263</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>27-beta</td>\n",
       "      <td>LNIQFNIPTPKLC</td>\n",
       "      <td>0.370809</td>\n",
       "      <td>0.231568</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>26-beta</td>\n",
       "      <td>GKELDPRLSYRI</td>\n",
       "      <td>0.369601</td>\n",
       "      <td>0.203439</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>35-gamma</td>\n",
       "      <td>RDDNFCAKVGVVI</td>\n",
       "      <td>0.366668</td>\n",
       "      <td>0.206787</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>34-gamma</td>\n",
       "      <td>CRDDNFCAKVGVVI</td>\n",
       "      <td>0.362501</td>\n",
       "      <td>0.200351</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>25-beta</td>\n",
       "      <td>IPLSTNIFEDQLLNIQFNIP</td>\n",
       "      <td>0.345149</td>\n",
       "      <td>0.232872</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>56</th>\n",
       "      <td>67-AMP</td>\n",
       "      <td>GGIKGIIPGIILEFLEGQLQK</td>\n",
       "      <td>0.342618</td>\n",
       "      <td>0.184454</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>50</th>\n",
       "      <td>60-AMP</td>\n",
       "      <td>FAISTSKLCVSYTIWKVG</td>\n",
       "      <td>0.338725</td>\n",
       "      <td>0.187005</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>23-beta</td>\n",
       "      <td>FIPLSTNIFEDQLLNIQFNIPT</td>\n",
       "      <td>0.337139</td>\n",
       "      <td>0.252779</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>19-alpha</td>\n",
       "      <td>KYLMQVLQEKL</td>\n",
       "      <td>0.335552</td>\n",
       "      <td>0.209696</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>59</th>\n",
       "      <td>70-AMP</td>\n",
       "      <td>FCRDDNFCAKVGVVIQNGKRR</td>\n",
       "      <td>0.335132</td>\n",
       "      <td>0.155947</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>37</th>\n",
       "      <td>46-gamma</td>\n",
       "      <td>FAKLLSDRKKLRANK</td>\n",
       "      <td>0.330491</td>\n",
       "      <td>0.162971</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>53</th>\n",
       "      <td>64-AMP</td>\n",
       "      <td>GGTIGQADSSWFKIVKSSQLGYNL</td>\n",
       "      <td>0.328946</td>\n",
       "      <td>0.159282</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>38</th>\n",
       "      <td>47-gamma</td>\n",
       "      <td>TPNENNRPFAAAKDIV</td>\n",
       "      <td>0.320889</td>\n",
       "      <td>0.241188</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>11-alpha</td>\n",
       "      <td>EALKRFAKLLSD</td>\n",
       "      <td>0.319610</td>\n",
       "      <td>0.181857</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>40</th>\n",
       "      <td>49-AMP</td>\n",
       "      <td>GIKGIIPAII</td>\n",
       "      <td>0.318383</td>\n",
       "      <td>0.200670</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>33-gamma</td>\n",
       "      <td>CLFLLCLCLVPIVVFSSTFTSQNP</td>\n",
       "      <td>0.316179</td>\n",
       "      <td>0.165074</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>61</th>\n",
       "      <td>72-AMP</td>\n",
       "      <td>CLCLVPIVVFSSTFTSKNPI</td>\n",
       "      <td>0.311626</td>\n",
       "      <td>0.162048</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>40-gamma</td>\n",
       "      <td>SSDDQFCLKVGVV</td>\n",
       "      <td>0.310857</td>\n",
       "      <td>0.228096</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>39-gamma</td>\n",
       "      <td>HQNGKRRLALV</td>\n",
       "      <td>0.310507</td>\n",
       "      <td>0.170950</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>22-beta</td>\n",
       "      <td>CPFSSDDQFCLKVGV</td>\n",
       "      <td>0.309631</td>\n",
       "      <td>0.213167</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>63</th>\n",
       "      <td>1-P_AO</td>\n",
       "      <td>SSDDQ</td>\n",
       "      <td>0.308917</td>\n",
       "      <td>0.254604</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>10-alpha</td>\n",
       "      <td>KKPVSKDSPETYEEALKRFAKLLSDRKKL</td>\n",
       "      <td>0.305323</td>\n",
       "      <td>0.154030</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>28-beta</td>\n",
       "      <td>VHQNGKRRLALVKDNPLDVSFK</td>\n",
       "      <td>0.301630</td>\n",
       "      <td>0.182613</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>12-alpha</td>\n",
       "      <td>DSPETYEEALKRFAKLLSD</td>\n",
       "      <td>0.298936</td>\n",
       "      <td>0.232231</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>49</th>\n",
       "      <td>59-AMP</td>\n",
       "      <td>FKIVKSSKIGYNLL</td>\n",
       "      <td>0.292284</td>\n",
       "      <td>0.181972</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>21-beta</td>\n",
       "      <td>ELDSRLSYRIISTFWGALGGDVYL</td>\n",
       "      <td>0.291047</td>\n",
       "      <td>0.165574</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>32-gamma</td>\n",
       "      <td>LFLLCLCLVPIVVFSSTFTSQNPINLPSD</td>\n",
       "      <td>0.289359</td>\n",
       "      <td>0.115018</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>65</th>\n",
       "      <td>3-P_AO</td>\n",
       "      <td>HQNGKRRLALVK</td>\n",
       "      <td>0.287895</td>\n",
       "      <td>0.154945</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>44-gamma</td>\n",
       "      <td>DNFCAKVGVVIQNGKRR</td>\n",
       "      <td>0.276179</td>\n",
       "      <td>0.156831</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>62</th>\n",
       "      <td>73-AMP</td>\n",
       "      <td>RLSYRIISIGRGAL</td>\n",
       "      <td>0.260830</td>\n",
       "      <td>0.197314</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>41</th>\n",
       "      <td>50-AMP</td>\n",
       "      <td>ALKRFAKLLSDRKKL</td>\n",
       "      <td>0.257507</td>\n",
       "      <td>0.197747</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>45</th>\n",
       "      <td>54-AMP</td>\n",
       "      <td>IFKIKKTDLVIRGMK</td>\n",
       "      <td>0.254665</td>\n",
       "      <td>0.148990</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>42-gamma</td>\n",
       "      <td>DTNGKELNPNSSYRIISIGRGALGGDVYL</td>\n",
       "      <td>0.248882</td>\n",
       "      <td>0.103914</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42</th>\n",
       "      <td>51-AMP</td>\n",
       "      <td>IKTNKPVIFTKSNLA</td>\n",
       "      <td>0.237708</td>\n",
       "      <td>0.183541</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>67 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        Name                       Sequence       FRS      Chel\n",
       "5   14-alpha              AKDIVPFYFEHGPHIFN  0.602204  0.188200\n",
       "4   13-alpha        NRPFAAAKDIVPFYFEHGPHIFN  0.523179  0.215385\n",
       "48    58-AMP        FKIVKSSKIGYNLLSCPFTSIIC  0.498899  0.147476\n",
       "20   29-beta       IGSSSHFGPHIFEGELLNIQFDIS  0.480209  0.232103\n",
       "8   17-alpha                  KYDGKYLMQVLQE  0.476868  0.196073\n",
       "46    56-AMP         KGCLVHLISAIYLCFLIKCSSK  0.476693  0.141178\n",
       "57    68-AMP             FASIRSLNYKQLLLLSLG  0.473538  0.220085\n",
       "54    65-AMP            RIISIGRGALGGDVYLGKS  0.469130  0.179100\n",
       "27  36-gamma     FDVIGGTSTGGLLTAMITTPNENNRP  0.465277  0.179562\n",
       "43    52-AMP           FCLKVGVIHQNGKRRLALVK  0.457819  0.205531\n",
       "7   16-alpha                 ILEFLEGQLQEVDN  0.457296  0.239883\n",
       "0    1-gamma   GIKGIIPAIILEFLEGQLQEVDNNKDAR  0.454689  0.163872\n",
       "29  38-gamma        FCLKVGVVHQNGKRRLALVKDNP  0.447740  0.161489\n",
       "28  37-gamma                LLTAMITTPNENNRP  0.444977  0.240024\n",
       "51    62-AMP         IPTPKLCVSYTIWKVGNINAPL  0.443686  0.109738\n",
       "6   15-alpha            IPATILEFLEGQLQEVDNN  0.437612  0.249733\n",
       "22   31-beta             LGGDVYLGKSPNSDAPCP  0.436552  0.206055\n",
       "52    63-AMP            VKLCVSYRNWKVGNLNAHL  0.432839  0.132191\n",
       "44    53-AMP              CLRKGKGCLVHLISAIY  0.427327  0.155932\n",
       "39  48-gamma          GIIPATILEFLEGQLQEVDNN  0.405301  0.218542\n",
       "55    66-AMP              VLSIDGGGIKGIIPGII  0.402012  0.190400\n",
       "47    57-AMP         GHPLRIGQRYIINNPLIGAGAV  0.401398  0.159749\n",
       "36  45-gamma                    VGVVIQNGKRR  0.400801  0.190427\n",
       "11   20-beta  ELDSRLSYRIISTFWGALGGDVYLGKSPN  0.386744  0.166717\n",
       "34  43-gamma                    NPNSSYRIISI  0.383784  0.180387\n",
       "60    71-AMP        IICLRCPEDQFCAKVGVVIQNGK  0.374200  0.178263\n",
       "18   27-beta                  LNIQFNIPTPKLC  0.370809  0.231568\n",
       "17   26-beta                   GKELDPRLSYRI  0.369601  0.203439\n",
       "26  35-gamma                  RDDNFCAKVGVVI  0.366668  0.206787\n",
       "25  34-gamma                 CRDDNFCAKVGVVI  0.362501  0.200351\n",
       "..       ...                            ...       ...       ...\n",
       "16   25-beta           IPLSTNIFEDQLLNIQFNIP  0.345149  0.232872\n",
       "56    67-AMP          GGIKGIIPGIILEFLEGQLQK  0.342618  0.184454\n",
       "50    60-AMP             FAISTSKLCVSYTIWKVG  0.338725  0.187005\n",
       "14   23-beta         FIPLSTNIFEDQLLNIQFNIPT  0.337139  0.252779\n",
       "10  19-alpha                    KYLMQVLQEKL  0.335552  0.209696\n",
       "59    70-AMP          FCRDDNFCAKVGVVIQNGKRR  0.335132  0.155947\n",
       "37  46-gamma                FAKLLSDRKKLRANK  0.330491  0.162971\n",
       "53    64-AMP       GGTIGQADSSWFKIVKSSQLGYNL  0.328946  0.159282\n",
       "38  47-gamma               TPNENNRPFAAAKDIV  0.320889  0.241188\n",
       "2   11-alpha                   EALKRFAKLLSD  0.319610  0.181857\n",
       "40    49-AMP                     GIKGIIPAII  0.318383  0.200670\n",
       "24  33-gamma       CLFLLCLCLVPIVVFSSTFTSQNP  0.316179  0.165074\n",
       "61    72-AMP           CLCLVPIVVFSSTFTSKNPI  0.311626  0.162048\n",
       "31  40-gamma                  SSDDQFCLKVGVV  0.310857  0.228096\n",
       "30  39-gamma                    HQNGKRRLALV  0.310507  0.170950\n",
       "13   22-beta                CPFSSDDQFCLKVGV  0.309631  0.213167\n",
       "63    1-P_AO                          SSDDQ  0.308917  0.254604\n",
       "1   10-alpha  KKPVSKDSPETYEEALKRFAKLLSDRKKL  0.305323  0.154030\n",
       "19   28-beta         VHQNGKRRLALVKDNPLDVSFK  0.301630  0.182613\n",
       "3   12-alpha            DSPETYEEALKRFAKLLSD  0.298936  0.232231\n",
       "49    59-AMP                 FKIVKSSKIGYNLL  0.292284  0.181972\n",
       "12   21-beta       ELDSRLSYRIISTFWGALGGDVYL  0.291047  0.165574\n",
       "23  32-gamma  LFLLCLCLVPIVVFSSTFTSQNPINLPSD  0.289359  0.115018\n",
       "65    3-P_AO                   HQNGKRRLALVK  0.287895  0.154945\n",
       "35  44-gamma              DNFCAKVGVVIQNGKRR  0.276179  0.156831\n",
       "62    73-AMP                 RLSYRIISIGRGAL  0.260830  0.197314\n",
       "41    50-AMP                ALKRFAKLLSDRKKL  0.257507  0.197747\n",
       "45    54-AMP                IFKIKKTDLVIRGMK  0.254665  0.148990\n",
       "33  42-gamma  DTNGKELNPNSSYRIISIGRGALGGDVYL  0.248882  0.103914\n",
       "42    51-AMP                IKTNKPVIFTKSNLA  0.237708  0.183541\n",
       "\n",
       "[67 rows x 4 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data_df = pd.DataFrame(AOf.get_fsa_file(fasta_input), columns=['Name','Sequence'])\n",
    "a_df = data_df.copy()\n",
    "\n",
    "augmented_pep = AOf.data_augmentation(a_df.Sequence, embedding_file) #a_df.Sequence for fasta file b_array for quick predictions\n",
    "\n",
    "\n",
    "a_array = AnOxPePred_model.predict(augmented_pep)\n",
    "\n",
    "pd.concat([a_df,pd.DataFrame(a_array,columns=['FRS','Chel'])], axis=1).sort_values(by='FRS',ascending=False)"
   ]
  }
 ],
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