{
  "id": 495399,
  "title": "Convert fingerprints in the pytorch Dataset or outside of Dataset?",
  "url": "/competitions/leash-BELKA/discussion/495399",
  "author_name": "",
  "post_date": "2024-04-20T22:02:51.519212100Z",
  "votes": 3,
  "comment_count": 1,
  "views": 0,
  "content": "<p>I built a pytorch Dataset with the morgan fingerprints function to convert SMILES to fingerprints. But I found it super slow when loading as a batch from dataloader. </p>\n<p>I'm curious, in this case, is it better to convert all of the smiles outside of the notebook and load it back?</p>",
  "messages": [
    {
      "id": "2764088",
      "postDate": "04/20/2024 22:02:51",
      "content": "<p>I built a pytorch Dataset with the morgan fingerprints function to convert SMILES to fingerprints. But I found it super slow when loading as a batch from dataloader. </p>\n<p>I'm curious, in this case, is it better to convert all of the smiles outside of the notebook and load it back?</p>",
      "rawMarkdown": "I built a pytorch Dataset with the morgan fingerprints function to convert SMILES to fingerprints. But I found it super slow when loading as a batch from dataloader. \n\nI'm curious, in this case, is it better to convert all of the smiles outside of the notebook and load it back?",
      "votes": null
    },
    {
      "id": "2772354",
      "postDate": "04/24/2024 17:08:44",
      "content": "<p>Yeah, i think your notebook will work more faster if you convert smiles outside of notebook </p>",
      "rawMarkdown": "Yeah, i think your notebook will work more faster if you convert smiles outside of notebook",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 2772354,
      "author_name": "yannchikk",
      "author_url": "",
      "post_date": "04/24/2024 17:08:44",
      "content": "<p>Yeah, i think your notebook will work more faster if you convert smiles outside of notebook </p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "2764088": "I built a pytorch Dataset with the morgan fingerprints function to convert SMILES to fingerprints. But I found it super slow when loading as a batch from dataloader. \n\nI'm curious, in this case, is it better to convert all of the smiles outside of the notebook and load it back?",
    "2772354": "Yeah, i think your notebook will work more faster if you convert smiles outside of notebook"
  },
  "source": "meta"
}