{
  "id": 498608,
  "title": "New dataset with images of Building Blocks",
  "url": "/competitions/leash-BELKA/discussion/498608",
  "author_name": "",
  "post_date": "2024-04-29T02:18:29.837084700Z",
  "votes": 7,
  "comment_count": 3,
  "views": 0,
  "content": "<p>I can only look at SMILES so many times before they all look the same.  To help me understand the chemical nature of the Building Blocks, I generated images for the various blocks and have added them to a dataset here - <a href=\"https://www.kaggle.com/datasets/kirkdco/leashbio-belka-building-blocks\" target=\"_blank\">LeashBio BELKA Building Blocks</a></p>",
  "messages": [
    {
      "id": "2781776",
      "postDate": "04/29/2024 02:18:29",
      "content": "<p>I can only look at SMILES so many times before they all look the same.  To help me understand the chemical nature of the Building Blocks, I generated images for the various blocks and have added them to a dataset here - <a href=\"https://www.kaggle.com/datasets/kirkdco/leashbio-belka-building-blocks\" target=\"_blank\">LeashBio BELKA Building Blocks</a></p>",
      "rawMarkdown": "I can only look at SMILES so many times before they all look the same.  To help me understand the chemical nature of the Building Blocks, I generated images for the various blocks and have added them to a dataset here - [LeashBio BELKA Building Blocks](https://www.kaggle.com/datasets/kirkdco/leashbio-belka-building-blocks)",
      "votes": null
    },
    {
      "id": "2782018",
      "postDate": "04/29/2024 05:15:57",
      "content": "<p>actually you can into image to your deep net as image.</p>",
      "rawMarkdown": "actually you can into image to your deep net as image.",
      "votes": null
    },
    {
      "id": "2784802",
      "postDate": "04/30/2024 13:55:53",
      "content": "<p>Can you add the molecules as well as images to complete the loop? </p>",
      "rawMarkdown": "Can you add the molecules as well as images to complete the loop?",
      "votes": null
    },
    {
      "id": "2784814",
      "postDate": "04/30/2024 13:58:38",
      "content": "<p>You mean the SMIILES strings?  </p>\n<p>Assuming that is what you meant, I've updated the dataset with a .csv file in each directory containing the SMILES for the building block.  Each .csv has the ID corresponding to the name of image file, the original SMILES, and a version of the SMILES with salts removed (which was used to generate the image).</p>",
      "rawMarkdown": "You mean the SMIILES strings?  \n\nAssuming that is what you meant, I've updated the dataset with a .csv file in each directory containing the SMILES for the building block.  Each .csv has the ID corresponding to the name of image file, the original SMILES, and a version of the SMILES with salts removed (which was used to generate the image).",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 2782018,
      "author_name": "hengck23",
      "author_url": "",
      "post_date": "04/29/2024 05:15:57",
      "content": "<p>actually you can into image to your deep net as image.</p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 2784802,
      "author_name": "alabibojesomo",
      "author_url": "",
      "post_date": "04/30/2024 13:55:53",
      "content": "<p>Can you add the molecules as well as images to complete the loop? </p>",
      "votes": null,
      "replies": [
        {
          "id": 2784814,
          "author_name": "kirkdco",
          "author_url": "",
          "post_date": "04/30/2024 13:58:38",
          "content": "<p>You mean the SMIILES strings?  </p>\n<p>Assuming that is what you meant, I've updated the dataset with a .csv file in each directory containing the SMILES for the building block.  Each .csv has the ID corresponding to the name of image file, the original SMILES, and a version of the SMILES with salts removed (which was used to generate the image).</p>",
          "votes": null,
          "replies": []
        }
      ]
    }
  ],
  "raw_markdown_by_id": {
    "2781776": "I can only look at SMILES so many times before they all look the same.  To help me understand the chemical nature of the Building Blocks, I generated images for the various blocks and have added them to a dataset here - [LeashBio BELKA Building Blocks](https://www.kaggle.com/datasets/kirkdco/leashbio-belka-building-blocks)",
    "2782018": "actually you can into image to your deep net as image.",
    "2784802": "Can you add the molecules as well as images to complete the loop?",
    "2784814": "You mean the SMIILES strings?  \n\nAssuming that is what you meant, I've updated the dataset with a .csv file in each directory containing the SMILES for the building block.  Each .csv has the ID corresponding to the name of image file, the original SMILES, and a version of the SMILES with salts removed (which was used to generate the image)."
  },
  "source": "meta"
}