{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "76c4ed82",
   "metadata": {},
   "outputs": [],
   "source": [
    "# preprocessing code\n",
    "\n",
    "# input is a labeled formulas file from mist code\n",
    "# molecule is smiles\n",
    "\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "04ea680e",
   "metadata": {},
   "outputs": [],
   "source": [
    "# load data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "990ccd94",
   "metadata": {},
   "outputs": [],
   "source": [
    "# load model"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "77334bf5",
   "metadata": {},
   "outputs": [],
   "source": [
    "# encode spectra and molecules\n",
    "# vilisualize attributes"
   ]
  }
 ],
 "metadata": {
  "language_info": {
   "name": "python"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}