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    "# An Introduction to exatomic\n",
    "\n",
    "Exatomic is a package that facilitates data analysis for computational chemistry.\n",
    "\n",
    "Key features of exatomic include:\n",
    "- Parsing of quantum chemistry software output\n",
    "- Visualization of molecules, orbitals\n",
    "- Dataframe based data organization"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## [Basics of exatomic](./01_basics.ipynb)\n",
    "\n",
    "- Tutorial of basic usage and syntax\n",
    "- Demonstrates how to load/manipulate dataframe data"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## [XYZ Tutorial](./02_xyz.ipynb)\n",
    "\n",
    "- Load an XYZ trajectory\n",
    "- Visualize the structure\n",
    "- Examine basic data objects associated with/derived from the structure"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## [Visualization of Molecular Orbitals](./03_orbitals.ipynb)\n",
    "\n",
    "- Tutorial on parsing data from wave function theory software\n",
    "- Visualization of molecular orbitals\n",
    "- Computation of overlap, density matrix, and other manipulations stemming from the basis set, order, and coefficient matrix"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## [NWChem](./nwchem.ipynb)\n",
    "- [NWChem](https://github.com/nwchemgit/nwchem/wiki) is a computational chemistry software"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## [QE](./qe.ipynb)\n",
    "- [QE](https://www.quantum-espresso.org/) is primarily a solid state physics simulation software"
   ]
  }
 ],
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