{
  "id": 94771,
  "title": "Density Functional Theory (DFT)-based features",
  "url": "/competitions/champs-scalar-coupling/discussion/94771",
  "author_name": "",
  "post_date": "2019-06-06T19:03:36.475817100Z",
  "votes": 1,
  "comment_count": 2,
  "views": 0,
  "content": "<p>For example, can we use <a href=\"https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations\">Kohn–Sham theory</a> to solve a partial differential equations (an eigenvalue problem to be specific) to get extra features for this competition?</p>",
  "messages": [
    {
      "id": "546636",
      "postDate": "06/06/2019 19:03:36",
      "content": "<p>For example, can we use <a href=\"https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations\">Kohn–Sham theory</a> to solve a partial differential equations (an eigenvalue problem to be specific) to get extra features for this competition?</p>",
      "rawMarkdown": "For example, can we use [Kohn–Sham theory](https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations) to solve a partial differential equations (an eigenvalue problem to be specific) to get extra features for this competition?",
      "votes": null
    },
    {
      "id": "546697",
      "postDate": "06/06/2019 20:20:42",
      "content": "<p>DFT is against the rules... \"You may use data other than the Competition Data (“External Data”) to develop and test your models and Submissions <strong>excluding data from quantum mechanics computations made specifically for the competition</strong>, and** excluding data from quantum mechanics computations on the molecules from the training and test set**, including the QM7 and QM9 data sets.\"</p>",
      "rawMarkdown": "DFT is against the rules... \"You may use data other than the Competition Data (“External Data”) to develop and test your models and Submissions **excluding data from quantum mechanics computations made specifically for the competition**, and** excluding data from quantum mechanics computations on the molecules from the training and test set**, including the QM7 and QM9 data sets.\"",
      "votes": null
    },
    {
      "id": "547662",
      "postDate": "06/08/2019 04:51:48",
      "content": "<p>Thanks. QM7 Dataset is very interesting. </p>",
      "rawMarkdown": "Thanks. QM7 Dataset is very interesting.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 546697,
      "author_name": "phucco",
      "author_url": "",
      "post_date": "06/06/2019 20:20:42",
      "content": "<p>DFT is against the rules... \"You may use data other than the Competition Data (“External Data”) to develop and test your models and Submissions <strong>excluding data from quantum mechanics computations made specifically for the competition</strong>, and** excluding data from quantum mechanics computations on the molecules from the training and test set**, including the QM7 and QM9 data sets.\"</p>",
      "votes": null,
      "replies": [
        {
          "id": 547662,
          "author_name": "scaomath",
          "author_url": "",
          "post_date": "06/08/2019 04:51:48",
          "content": "<p>Thanks. QM7 Dataset is very interesting. </p>",
          "votes": null,
          "replies": []
        }
      ]
    }
  ],
  "raw_markdown_by_id": {
    "546636": "For example, can we use [Kohn–Sham theory](https://en.wikipedia.org/wiki/Kohn%E2%80%93Sham_equations) to solve a partial differential equations (an eigenvalue problem to be specific) to get extra features for this competition?",
    "546697": "DFT is against the rules... \"You may use data other than the Competition Data (“External Data”) to develop and test your models and Submissions **excluding data from quantum mechanics computations made specifically for the competition**, and** excluding data from quantum mechanics computations on the molecules from the training and test set**, including the QM7 and QM9 data sets.\"",
    "547662": "Thanks. QM7 Dataset is very interesting."
  },
  "source": "meta"
}