deepdrug3D/DeepDrug.ipynb

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    "# DeepDrug3D"
   ]
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   "source": [
    "import numpy as np"
   ]
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    "## Create pocket lists\n",
    "4 pockets are created :\n",
    "  + control\n",
    "  + steroid\n",
    "  + heme\n",
    "  + nucleotide"
   ]
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       "''"
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   "source": [
    "with open(\"control.list\", \"r\") as filin:\n",
    "    control = filin.read()\n",
    "control = control.split(\"\\n\")\n",
    "control.pop()\n",
    "\n",
    "with open(\"steroid.list\", \"r\") as filin:\n",
    "    steroid = filin.read()\n",
    "steroid = steroid.split(\"\\n\")\n",
    "steroid.pop()\n",
    "\n",
    "with open(\"heme.list\", \"r\") as filin:\n",
    "    heme = filin.read()\n",
    "heme = heme.split(\"\\n\")\n",
    "heme.pop()\n",
    "\n",
    "with open(\"nucleotide.list\", \"r\") as filin:\n",
    "    nucleotide = filin.read()\n",
    "nucleotide = nucleotide.split(\"\\n\")\n",
    "nucleotide.pop()"
   ]
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