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{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "facb53c7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'\\n# RDKit in marimo + Molab\\n\\nSMILES: `CCO`\\n\\nMolecular weight: `46.07`\\n'"
      ]
     },
     "execution_count": 1,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "import marimo as mo\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import Descriptors\n",
    "\n",
    "mol = Chem.MolFromSmiles(\"CCO\")\n",
    "f\"\"\"\n",
    "# RDKit in marimo + Molab\n",
    "\n",
    "SMILES: `CCO`\n",
    "\n",
    "Molecular weight: `{Descriptors.MolWt(mol):.2f}`\n",
    "\"\"\""
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.14.5"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}