{
  "id": 93999,
  "title": "Molecule Identification Ideas?",
  "url": "/competitions/champs-scalar-coupling/discussion/93999",
  "author_name": "",
  "post_date": "2019-05-31T20:34:45.440642100Z",
  "votes": null,
  "comment_count": 2,
  "views": 0,
  "content": "<p>Hello All,</p>\n\n<p>I was wondering if anybody has attempted to identify the actual molecules by (IUPAC Name, CAS#, or other common identification). I'd love to add in extra features for each molecule in addition to the xyz coordinates of atoms. Any ideas??</p>\n\n<p>I've seen some people referring to open babel, a c++ api program I believe? I did download it, but the website doesn't make a very good job explaining how to use it.</p>\n\n<p>Let's brainstorm!</p>",
  "messages": [
    {
      "id": "540671",
      "postDate": "05/31/2019 20:34:45",
      "content": "<p>Hello All,</p>\n\n<p>I was wondering if anybody has attempted to identify the actual molecules by (IUPAC Name, CAS#, or other common identification). I'd love to add in extra features for each molecule in addition to the xyz coordinates of atoms. Any ideas??</p>\n\n<p>I've seen some people referring to open babel, a c++ api program I believe? I did download it, but the website doesn't make a very good job explaining how to use it.</p>\n\n<p>Let's brainstorm!</p>",
      "rawMarkdown": "Hello All,\n\nI was wondering if anybody has attempted to identify the actual molecules by (IUPAC Name, CAS#, or other common identification). I'd love to add in extra features for each molecule in addition to the xyz coordinates of atoms. Any ideas??\n\nI've seen some people referring to open babel, a c++ api program I believe? I did download it, but the website doesn't make a very good job explaining how to use it.\n\nLet's brainstorm!",
      "votes": null
    },
    {
      "id": "540775",
      "postDate": "06/01/2019 04:03:04",
      "content": "<p>Use Dendral</p>",
      "rawMarkdown": "Use Dendral",
      "votes": null
    },
    {
      "id": "541041",
      "postDate": "06/01/2019 15:48:05",
      "content": "<p>Dunno man, that seemss like a shitload of work that might not even pay off. Interesting idea tho</p>",
      "rawMarkdown": "Dunno man, that seemss like a shitload of work that might not even pay off. Interesting idea tho",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 540775,
      "author_name": "siddu733",
      "author_url": "",
      "post_date": "06/01/2019 04:03:04",
      "content": "<p>Use Dendral</p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 541041,
      "author_name": "mkozic",
      "author_url": "",
      "post_date": "06/01/2019 15:48:05",
      "content": "<p>Dunno man, that seemss like a shitload of work that might not even pay off. Interesting idea tho</p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "540671": "Hello All,\n\nI was wondering if anybody has attempted to identify the actual molecules by (IUPAC Name, CAS#, or other common identification). I'd love to add in extra features for each molecule in addition to the xyz coordinates of atoms. Any ideas??\n\nI've seen some people referring to open babel, a c++ api program I believe? I did download it, but the website doesn't make a very good job explaining how to use it.\n\nLet's brainstorm!",
    "540775": "Use Dendral",
    "541041": "Dunno man, that seemss like a shitload of work that might not even pay off. Interesting idea tho"
  },
  "source": "meta"
}