{
  "id": 97078,
  "title": "Difference between atom_indicex's",
  "url": "/competitions/champs-scalar-coupling/discussion/97078",
  "author_name": "",
  "post_date": "2019-06-25T16:15:15.930808900Z",
  "votes": 1,
  "comment_count": 2,
  "views": 0,
  "content": "<p>Hey, \nI was going through this dataset and found there are 3 indexes\n1.  atom_index\n2. atom_index_0\n3. atom_index_1</p>\n\n<p>Can anyone tell me what's the difference between one another ???</p>\n\n<p>Is atom_index is Unique-Id if so, than what are the other two ???</p>",
  "messages": [
    {
      "id": "560624",
      "postDate": "06/25/2019 16:15:15",
      "content": "<p>Hey, \nI was going through this dataset and found there are 3 indexes\n1.  atom_index\n2. atom_index_0\n3. atom_index_1</p>\n\n<p>Can anyone tell me what's the difference between one another ???</p>\n\n<p>Is atom_index is Unique-Id if so, than what are the other two ???</p>",
      "rawMarkdown": "Hey, \nI was going through this dataset and found there are 3 indexes\n1.  atom_index\n2. atom_index_0\n3. atom_index_1\n\nCan anyone tell me what's the difference between one another ???\n\nIs atom_index is Unique-Id if so, than what are the other two ???",
      "votes": null
    },
    {
      "id": "560652",
      "postDate": "06/25/2019 17:03:09",
      "content": "<p><code>atom_index</code> is a unique identifier for each atom within a molecule. If you look in the <code>structures.csv</code> you will find a row for each <code>atom_index</code> per <code>molecule_name</code></p>\n\n<p>What we are tasked with predicting is the <code>scalar_coupling_constant</code> this is a value associated with an <strong>atom-pair</strong> (two atoms within the same molecule). In the <code>train.csv</code> file <code>atom_index_0</code> and <code>atom_index_1</code> denote the indexes of these two atoms.</p>\n\n<p>Also see the data description here: <a href=\"https://www.kaggle.com/c/champs-scalar-coupling/data\">https://www.kaggle.com/c/champs-scalar-coupling/data</a> specifically the description of <code>train.csv</code></p>",
      "rawMarkdown": "`atom_index` is a unique identifier for each atom within a molecule. If you look in the `structures.csv` you will find a row for each `atom_index` per `molecule_name`\n\nWhat we are tasked with predicting is the `scalar_coupling_constant ` this is a value associated with an **atom-pair** (two atoms within the same molecule). In the `train.csv` file `atom_index_0` and `atom_index_1` denote the indexes of these two atoms.\n\nAlso see the data description here: https://www.kaggle.com/c/champs-scalar-coupling/data specifically the description of `train.csv`",
      "votes": null
    },
    {
      "id": "561621",
      "postDate": "06/26/2019 15:42:54",
      "content": "<p>Thanx bro</p>",
      "rawMarkdown": "Thanx bro",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 560652,
      "author_name": "robikscube",
      "author_url": "",
      "post_date": "06/25/2019 17:03:09",
      "content": "<p><code>atom_index</code> is a unique identifier for each atom within a molecule. If you look in the <code>structures.csv</code> you will find a row for each <code>atom_index</code> per <code>molecule_name</code></p>\n\n<p>What we are tasked with predicting is the <code>scalar_coupling_constant</code> this is a value associated with an <strong>atom-pair</strong> (two atoms within the same molecule). In the <code>train.csv</code> file <code>atom_index_0</code> and <code>atom_index_1</code> denote the indexes of these two atoms.</p>\n\n<p>Also see the data description here: <a href=\"https://www.kaggle.com/c/champs-scalar-coupling/data\">https://www.kaggle.com/c/champs-scalar-coupling/data</a> specifically the description of <code>train.csv</code></p>",
      "votes": null,
      "replies": [
        {
          "id": 561621,
          "author_name": "vinayak123tyagi",
          "author_url": "",
          "post_date": "06/26/2019 15:42:54",
          "content": "<p>Thanx bro</p>",
          "votes": null,
          "replies": []
        }
      ]
    }
  ],
  "raw_markdown_by_id": {
    "560624": "Hey, \nI was going through this dataset and found there are 3 indexes\n1.  atom_index\n2. atom_index_0\n3. atom_index_1\n\nCan anyone tell me what's the difference between one another ???\n\nIs atom_index is Unique-Id if so, than what are the other two ???",
    "560652": "`atom_index` is a unique identifier for each atom within a molecule. If you look in the `structures.csv` you will find a row for each `atom_index` per `molecule_name`\n\nWhat we are tasked with predicting is the `scalar_coupling_constant ` this is a value associated with an **atom-pair** (two atoms within the same molecule). In the `train.csv` file `atom_index_0` and `atom_index_1` denote the indexes of these two atoms.\n\nAlso see the data description here: https://www.kaggle.com/c/champs-scalar-coupling/data specifically the description of `train.csv`",
    "561621": "Thanx bro"
  },
  "source": "meta"
}