{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# The Package"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "To start using **scikit-chem**, the package to import is `skchem`:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "import skchem"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "The different functionalities are arranged in subpackages:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['core',\n",
       " 'filters',\n",
       " 'data',\n",
       " 'descriptors',\n",
       " 'io',\n",
       " 'vis',\n",
       " 'cross_validation',\n",
       " 'standardizers',\n",
       " 'interact',\n",
       " 'pipeline']"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "skchem.__all__"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "These are all imported as soon as the base package is imported, so everything is ready to use right away:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<Mol name=\"None\" formula=\"\" at 0x11d01d538>"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "skchem.core.Mol()"
   ]
  }
 ],
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   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
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