{
  "id": 103966,
  "title": "Please can someone explain atom_index_0 and atom_index Relation",
  "url": "/competitions/champs-scalar-coupling/discussion/103966",
  "author_name": "",
  "post_date": "2019-08-13T09:48:29.736363900Z",
  "votes": null,
  "comment_count": 1,
  "views": 0,
  "content": "<p>Hi There,</p>\n\n<p>Please can someone explain how we can establish relationship between atom_index_0, atom_index_1 and atom_index of given different dataset?</p>\n\n<p>For example: Relation between atom_index of mulliken_charges.csv and atom_index0 and atom_index1 of train dataset.</p>",
  "messages": [
    {
      "id": "598225",
      "postDate": "08/13/2019 09:48:29",
      "content": "<p>Hi There,</p>\n\n<p>Please can someone explain how we can establish relationship between atom_index_0, atom_index_1 and atom_index of given different dataset?</p>\n\n<p>For example: Relation between atom_index of mulliken_charges.csv and atom_index0 and atom_index1 of train dataset.</p>",
      "rawMarkdown": "Hi There,\n\nPlease can someone explain how we can establish relationship between atom_index_0, atom_index_1 and atom_index of given different dataset?\n\nFor example: Relation between atom_index of mulliken_charges.csv and atom_index0 and atom_index1 of train dataset.",
      "votes": null
    },
    {
      "id": "598378",
      "postDate": "08/13/2019 14:29:07",
      "content": "<p>There are different datasets. If a dataset contains pair property between two atoms, you need to specify two atom indices to identify two atoms. If a dataset contains atomic property of a single atom, the one index is enough. So if you want to get a dataset where you have both, atomic properties and pair properties you have to do inner join on atomindex1 and atomindex and then on atomindex2 and atomindex. </p>",
      "rawMarkdown": "There are different datasets. If a dataset contains pair property between two atoms, you need to specify two atom indices to identify two atoms. If a dataset contains atomic property of a single atom, the one index is enough. So if you want to get a dataset where you have both, atomic properties and pair properties you have to do inner join on atomindex1 and atomindex and then on atomindex2 and atomindex.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 598378,
      "author_name": "somnambwl",
      "author_url": "",
      "post_date": "08/13/2019 14:29:07",
      "content": "<p>There are different datasets. If a dataset contains pair property between two atoms, you need to specify two atom indices to identify two atoms. If a dataset contains atomic property of a single atom, the one index is enough. So if you want to get a dataset where you have both, atomic properties and pair properties you have to do inner join on atomindex1 and atomindex and then on atomindex2 and atomindex. </p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "598225": "Hi There,\n\nPlease can someone explain how we can establish relationship between atom_index_0, atom_index_1 and atom_index of given different dataset?\n\nFor example: Relation between atom_index of mulliken_charges.csv and atom_index0 and atom_index1 of train dataset.",
    "598378": "There are different datasets. If a dataset contains pair property between two atoms, you need to specify two atom indices to identify two atoms. If a dataset contains atomic property of a single atom, the one index is enough. So if you want to get a dataset where you have both, atomic properties and pair properties you have to do inner join on atomindex1 and atomindex and then on atomindex2 and atomindex."
  },
  "source": "meta"
}