{
  "id": 96452,
  "title": "Best bond reconstruction algorithm?",
  "url": "/competitions/champs-scalar-coupling/discussion/96452",
  "author_name": "",
  "post_date": "2019-06-20T15:46:32.529428900Z",
  "votes": 4,
  "comment_count": 1,
  "views": 0,
  "content": "<p>I am sorry if someone has already brought up the same issue. Tell me if so</p>\n\n<p>It seems there are already many bond reconsturction algorithms suggested in the kernel.\nWhat I confirmed:</p>\n\n<ul>\n<li><a href=\"https://www.kaggle.com/asauve/dataset-with-number-of-bonds-between-atoms\">Dataset with number of bonds between atoms</a></li>\n<li><a href=\"https://www.kaggle.com/lesamu/easily-extract-bond-information-with-openbabel\">Easily extract bond information with OpenBabel</a></li>\n<li><a href=\"https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82\">Bond Calculaltion LB -0.82</a></li>\n</ul>\n\n<p>I guess there would be more algorithms which I have not checked.</p>\n\n<p>Anyhow, has anyone compared the result after applying each algorithm? I might try later if anybody hasn't...</p>",
  "messages": [
    {
      "id": "556755",
      "postDate": "06/20/2019 15:46:32",
      "content": "<p>I am sorry if someone has already brought up the same issue. Tell me if so</p>\n\n<p>It seems there are already many bond reconsturction algorithms suggested in the kernel.\nWhat I confirmed:</p>\n\n<ul>\n<li><a href=\"https://www.kaggle.com/asauve/dataset-with-number-of-bonds-between-atoms\">Dataset with number of bonds between atoms</a></li>\n<li><a href=\"https://www.kaggle.com/lesamu/easily-extract-bond-information-with-openbabel\">Easily extract bond information with OpenBabel</a></li>\n<li><a href=\"https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82\">Bond Calculaltion LB -0.82</a></li>\n</ul>\n\n<p>I guess there would be more algorithms which I have not checked.</p>\n\n<p>Anyhow, has anyone compared the result after applying each algorithm? I might try later if anybody hasn't...</p>",
      "rawMarkdown": "I am sorry if someone has already brought up the same issue. Tell me if so\n\nIt seems there are already many bond reconsturction algorithms suggested in the kernel.\nWhat I confirmed:\n\n- [Dataset with number of bonds between atoms](https://www.kaggle.com/asauve/dataset-with-number-of-bonds-between-atoms)\n- [Easily extract bond information with OpenBabel](https://www.kaggle.com/lesamu/easily-extract-bond-information-with-openbabel)\n- [Bond Calculaltion LB -0.82](https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82)\n\nI guess there would be more algorithms which I have not checked.\n\nAnyhow, has anyone compared the result after applying each algorithm? I might try later if anybody hasn't...",
      "votes": null
    },
    {
      "id": "556841",
      "postDate": "06/20/2019 18:32:30",
      "content": "<p>I think Bond Calculaltion LB -0.82 is the best 😁\nJust kidding. The version 5 is a little better than the last version: <a href=\"https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705\">https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705</a></p>",
      "rawMarkdown": "I think Bond Calculaltion LB -0.82 is the best 😁\nJust kidding. The version 5 is a little better than the last version: https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 556841,
      "author_name": "adrianoavelar",
      "author_url": "",
      "post_date": "06/20/2019 18:32:30",
      "content": "<p>I think Bond Calculaltion LB -0.82 is the best 😁\nJust kidding. The version 5 is a little better than the last version: <a href=\"https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705\">https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705</a></p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "556755": "I am sorry if someone has already brought up the same issue. Tell me if so\n\nIt seems there are already many bond reconsturction algorithms suggested in the kernel.\nWhat I confirmed:\n\n- [Dataset with number of bonds between atoms](https://www.kaggle.com/asauve/dataset-with-number-of-bonds-between-atoms)\n- [Easily extract bond information with OpenBabel](https://www.kaggle.com/lesamu/easily-extract-bond-information-with-openbabel)\n- [Bond Calculaltion LB -0.82](https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82)\n\nI guess there would be more algorithms which I have not checked.\n\nAnyhow, has anyone compared the result after applying each algorithm? I might try later if anybody hasn't...",
    "556841": "I think Bond Calculaltion LB -0.82 is the best 😁\nJust kidding. The version 5 is a little better than the last version: https://www.kaggle.com/adrianoavelar/bond-calculaltion-lb-0-82?scriptVersionId=15967705"
  },
  "source": "meta"
}