{
  "id": 96646,
  "title": "dsgdb9nsd_000003 has only 1 pair in train/test. but should it have more?",
  "url": "/competitions/champs-scalar-coupling/discussion/96646",
  "author_name": "",
  "post_date": "2019-06-21T17:10:58.822051Z",
  "votes": null,
  "comment_count": 1,
  "views": 0,
  "content": "<p>The dsgdb9nsd_000003 has only 1 entry in the train/test with atom_index_0=1 and atom_index_1=2. Why is that strange combination of atom_index_x and why only one pair? Should it be 2 pairs?</p>\n\n<p>Do actually atom_index_x mean anything? is there some real logic behind there values? I thought they just cover all permutations of atoms without any particular order in them?</p>",
  "messages": [
    {
      "id": "558002",
      "postDate": "06/21/2019 17:10:58",
      "content": "<p>The dsgdb9nsd_000003 has only 1 entry in the train/test with atom_index_0=1 and atom_index_1=2. Why is that strange combination of atom_index_x and why only one pair? Should it be 2 pairs?</p>\n\n<p>Do actually atom_index_x mean anything? is there some real logic behind there values? I thought they just cover all permutations of atoms without any particular order in them?</p>",
      "rawMarkdown": "The dsgdb9nsd_000003 has only 1 entry in the train/test with atom_index_0=1 and atom_index_1=2. Why is that strange combination of atom_index_x and why only one pair? Should it be 2 pairs?\n\nDo actually atom_index_x mean anything? is there some real logic behind there values? I thought they just cover all permutations of atoms without any particular order in them?",
      "votes": null
    },
    {
      "id": "558027",
      "postDate": "06/21/2019 17:57:53",
      "content": "<p>It's H-O-H, aka water. The only coupling involving H,C,N,F is between the two hydrogen atoms, as a 2JHH type. So there shouldn't be another pair.</p>",
      "rawMarkdown": "It's H-O-H, aka water. The only coupling involving H,C,N,F is between the two hydrogen atoms, as a 2JHH type. So there shouldn't be another pair.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 558027,
      "author_name": "phucco",
      "author_url": "",
      "post_date": "06/21/2019 17:57:53",
      "content": "<p>It's H-O-H, aka water. The only coupling involving H,C,N,F is between the two hydrogen atoms, as a 2JHH type. So there shouldn't be another pair.</p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "558002": "The dsgdb9nsd_000003 has only 1 entry in the train/test with atom_index_0=1 and atom_index_1=2. Why is that strange combination of atom_index_x and why only one pair? Should it be 2 pairs?\n\nDo actually atom_index_x mean anything? is there some real logic behind there values? I thought they just cover all permutations of atoms without any particular order in them?",
    "558027": "It's H-O-H, aka water. The only coupling involving H,C,N,F is between the two hydrogen atoms, as a 2JHH type. So there shouldn't be another pair."
  },
  "source": "meta"
}