{
  "id": 232380,
  "title": "if i want to build a inchi-to-image generator, what paper can i follows?",
  "url": "/competitions/bms-molecular-translation/discussion/232380",
  "author_name": "",
  "post_date": "2021-04-13T13:28:06.038551600Z",
  "votes": 3,
  "comment_count": 8,
  "views": 0,
  "content": "<p>anyone one can recommend an encoder-decoder framework to do the reverse?<br>\nfrom inchi string to image</p>",
  "messages": [
    {
      "id": "1272442",
      "postDate": "04/13/2021 13:28:06",
      "content": "<p>anyone one can recommend an encoder-decoder framework to do the reverse?<br>\nfrom inchi string to image</p>",
      "rawMarkdown": "anyone one can recommend an encoder-decoder framework to do the reverse?\nfrom inchi string to image",
      "votes": null
    },
    {
      "id": "1272473",
      "postDate": "04/13/2021 13:58:59",
      "content": "<p>I think this might help you,<br>\n<a href=\"https://arxiv.org/pdf/2104.00567\" target=\"_blank\">https://arxiv.org/pdf/2104.00567</a></p>\n<p>I just started the competition don't know What to do. </p>",
      "rawMarkdown": "I think this might help you,\nhttps://arxiv.org/pdf/2104.00567\n\nI just started the competition don't know What to do.",
      "votes": null
    },
    {
      "id": "1274199",
      "postDate": "04/15/2021 05:20:10",
      "content": "<p>How about using a conditional GAN (cGAN)?</p>",
      "rawMarkdown": "How about using a conditional GAN (cGAN)?",
      "votes": null
    },
    {
      "id": "1274326",
      "postDate": "04/15/2021 07:39:56",
      "content": "<p>I think you need this</p>\n<p><a href=\"https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp\" target=\"_blank\">https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp</a></p>",
      "rawMarkdown": "I think you need this\n\nhttps://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp",
      "votes": null
    },
    {
      "id": "1276031",
      "postDate": "04/17/2021 02:35:16",
      "content": "<p>on a side note, anyone has successful results using rdkit drawing for training?<br>\n<img src=\"https://i.ibb.co/y5XcDJ6/Selection-032.png\" alt=\"\"></p>\n<p>rdkit drawing is not quite the same as the kaggle drawing provided. an example is shown here.<br>\ni wonder how can one draw adamantan shown above as a cube?</p>",
      "rawMarkdown": "on a side note, anyone has successful results using rdkit drawing for training?\n![](https://i.ibb.co/y5XcDJ6/Selection-032.png)\n\nrdkit drawing is not quite the same as the kaggle drawing provided. an example is shown here.\ni wonder how can one draw adamantan shown above as a cube?",
      "votes": null
    },
    {
      "id": "1279053",
      "postDate": "04/20/2021 14:50:36",
      "content": "<p>These drawings have a closer look <a href=\"https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst\" target=\"_blank\">https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst</a></p>",
      "rawMarkdown": "These drawings have a closer look https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst",
      "votes": null
    },
    {
      "id": "1279278",
      "postDate": "04/20/2021 19:00:04",
      "content": "<p>Could be down to <code>SetPreferCoordGen</code> options. <a href=\"https://github.com/rdkit/rdkit/issues/3491\" target=\"_blank\">Seems</a> that sometimes it's better for this to be set to  <code>False</code> rather than <code>True</code>. Any chemistry buffs know of a way of discerning which setting to choose?</p>",
      "rawMarkdown": "Could be down to `SetPreferCoordGen` options. [Seems](https://github.com/rdkit/rdkit/issues/3491) that sometimes it's better for this to be set to  `False` rather than `True`. Any chemistry buffs know of a way of discerning which setting to choose?",
      "votes": null
    },
    {
      "id": "1287381",
      "postDate": "04/29/2021 03:09:52",
      "content": "<p>If someone finds inchi2img model then combined with img2imchi model, which can solve this problem using CycleGAN!</p>",
      "rawMarkdown": "If someone finds inchi2img model then combined with img2imchi model, which can solve this problem using CycleGAN!",
      "votes": null
    },
    {
      "id": "1287536",
      "postDate": "04/29/2021 07:02:53",
      "content": "<p><img src=\"https://i.ibb.co/cF8bZC2/Selection-028.png\" alt=\"\"><br>\nChemical_Space_Mimicry_for_Drug_Discovery.pdf</p>",
      "rawMarkdown": "![](https://i.ibb.co/cF8bZC2/Selection-028.png)\nChemical_Space_Mimicry_for_Drug_Discovery.pdf",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 1272473,
      "author_name": "morizin",
      "author_url": "",
      "post_date": "04/13/2021 13:58:59",
      "content": "<p>I think this might help you,<br>\n<a href=\"https://arxiv.org/pdf/2104.00567\" target=\"_blank\">https://arxiv.org/pdf/2104.00567</a></p>\n<p>I just started the competition don't know What to do. </p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 1274199,
      "author_name": "ayuraj",
      "author_url": "",
      "post_date": "04/15/2021 05:20:10",
      "content": "<p>How about using a conditional GAN (cGAN)?</p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 1274326,
      "author_name": "micheomaano",
      "author_url": "",
      "post_date": "04/15/2021 07:39:56",
      "content": "<p>I think you need this</p>\n<p><a href=\"https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp\" target=\"_blank\">https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp</a></p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 1276031,
      "author_name": "hengck23",
      "author_url": "",
      "post_date": "04/17/2021 02:35:16",
      "content": "<p>on a side note, anyone has successful results using rdkit drawing for training?<br>\n<img src=\"https://i.ibb.co/y5XcDJ6/Selection-032.png\" alt=\"\"></p>\n<p>rdkit drawing is not quite the same as the kaggle drawing provided. an example is shown here.<br>\ni wonder how can one draw adamantan shown above as a cube?</p>",
      "votes": null,
      "replies": [
        {
          "id": 1279053,
          "author_name": "chok68",
          "author_url": "",
          "post_date": "04/20/2021 14:50:36",
          "content": "<p>These drawings have a closer look <a href=\"https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst\" target=\"_blank\">https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst</a></p>",
          "votes": null,
          "replies": []
        },
        {
          "id": 1279278,
          "author_name": "fergusoci",
          "author_url": "",
          "post_date": "04/20/2021 19:00:04",
          "content": "<p>Could be down to <code>SetPreferCoordGen</code> options. <a href=\"https://github.com/rdkit/rdkit/issues/3491\" target=\"_blank\">Seems</a> that sometimes it's better for this to be set to  <code>False</code> rather than <code>True</code>. Any chemistry buffs know of a way of discerning which setting to choose?</p>",
          "votes": null,
          "replies": []
        }
      ]
    },
    {
      "id": 1287381,
      "author_name": "tiandaye",
      "author_url": "",
      "post_date": "04/29/2021 03:09:52",
      "content": "<p>If someone finds inchi2img model then combined with img2imchi model, which can solve this problem using CycleGAN!</p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 1287536,
      "author_name": "hengck23",
      "author_url": "",
      "post_date": "04/29/2021 07:02:53",
      "content": "<p><img src=\"https://i.ibb.co/cF8bZC2/Selection-028.png\" alt=\"\"><br>\nChemical_Space_Mimicry_for_Drug_Discovery.pdf</p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "1272442": "anyone one can recommend an encoder-decoder framework to do the reverse?\nfrom inchi string to image",
    "1272473": "I think this might help you,\nhttps://arxiv.org/pdf/2104.00567\n\nI just started the competition don't know What to do.",
    "1274199": "How about using a conditional GAN (cGAN)?",
    "1274326": "I think you need this\n\nhttps://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/External/INCHI-API/inchi.cpp",
    "1276031": "on a side note, anyone has successful results using rdkit drawing for training?\n![](https://i.ibb.co/y5XcDJ6/Selection-032.png)\n\nrdkit drawing is not quite the same as the kaggle drawing provided. an example is shown here.\ni wonder how can one draw adamantan shown above as a cube?",
    "1279053": "These drawings have a closer look https://github.com/rdkit/rdkit/blob/master/Docs/Book/Cookbook.rst",
    "1279278": "Could be down to `SetPreferCoordGen` options. [Seems](https://github.com/rdkit/rdkit/issues/3491) that sometimes it's better for this to be set to  `False` rather than `True`. Any chemistry buffs know of a way of discerning which setting to choose?",
    "1287381": "If someone finds inchi2img model then combined with img2imchi model, which can solve this problem using CycleGAN!",
    "1287536": "![](https://i.ibb.co/cF8bZC2/Selection-028.png)\nChemical_Space_Mimicry_for_Drug_Discovery.pdf"
  },
  "source": "meta"
}