{
  "id": 492481,
  "title": "is transformer model will capture molecule vs building blocks?",
  "url": "/competitions/leash-BELKA/discussion/492481",
  "author_name": "",
  "post_date": "2024-04-09T18:07:39.955446700Z",
  "votes": 10,
  "comment_count": 2,
  "views": 0,
  "content": "<p><strong><a href=\"https://www.kaggle.com/code/seshurajup/buildingblock-analysis-smiles-transformers/notebook\" target=\"_blank\">Notebook - 🧬 BuildingBlock Analysis - Smiles Transformers 🧬</a></strong> - Using <strong>UdS-LSV/siamese-smole-bert-muv-1x</strong></p>\n<h1>We can clearly see the new building blocks from Train (0,1) vs Test(2)</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fdee5c8785d2db0cb2f44cd921ad80050%2FScreenshot%202024-04-09%20at%2011.23.00PM.png?generation=1712685360104152&amp;alt=media\"></p>\n<hr>\n<h1>Even new building blocks 1 in test set, as per embeddings wise its not</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2F2dc49d92b4afb2a3222a356ec49be984%2FScreenshot%202024-04-09%20at%2011.22.30PM.png?generation=1712685416013514&amp;alt=media\"> </p>\n<hr>\n<h1>New building blocks 2 in test set need to be train ( shift domain to be adopt )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fac98f4c8f5fe009417fffbf38f72a38d%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685483013684&amp;alt=media\"></p>\n<hr>\n<h1>New building blocks 3 in test set need to be train ( shift domain to be adopt )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fe46b250caeb44ab0f54122cfdece4854%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685522260642&amp;alt=media\"></p>\n<hr>\n<h1>Finally is molecule vs building blocks combinations can capture the relation just using only building blocks? ( focus on blue &lt; red &lt; green &lt; orange )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fa182aecc9585abb0b5f6ca22aa655c05%2FScreenshot%202024-04-09%20at%2011.35.56PM.png?generation=1712685983434793&amp;alt=media\"></p>\n<blockquote>\n  <h2>molecule &lt; combined 3 blocks  &lt; combined 2 of 3 blocks &lt; each block ( similarity - it is good sign of capturing the molecule to building blocks relation</h2>\n</blockquote>",
  "messages": [
    {
      "id": "2744037",
      "postDate": "04/09/2024 18:07:39",
      "content": "<p><strong><a href=\"https://www.kaggle.com/code/seshurajup/buildingblock-analysis-smiles-transformers/notebook\" target=\"_blank\">Notebook - 🧬 BuildingBlock Analysis - Smiles Transformers 🧬</a></strong> - Using <strong>UdS-LSV/siamese-smole-bert-muv-1x</strong></p>\n<h1>We can clearly see the new building blocks from Train (0,1) vs Test(2)</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fdee5c8785d2db0cb2f44cd921ad80050%2FScreenshot%202024-04-09%20at%2011.23.00PM.png?generation=1712685360104152&amp;alt=media\"></p>\n<hr>\n<h1>Even new building blocks 1 in test set, as per embeddings wise its not</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2F2dc49d92b4afb2a3222a356ec49be984%2FScreenshot%202024-04-09%20at%2011.22.30PM.png?generation=1712685416013514&amp;alt=media\"> </p>\n<hr>\n<h1>New building blocks 2 in test set need to be train ( shift domain to be adopt )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fac98f4c8f5fe009417fffbf38f72a38d%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685483013684&amp;alt=media\"></p>\n<hr>\n<h1>New building blocks 3 in test set need to be train ( shift domain to be adopt )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fe46b250caeb44ab0f54122cfdece4854%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685522260642&amp;alt=media\"></p>\n<hr>\n<h1>Finally is molecule vs building blocks combinations can capture the relation just using only building blocks? ( focus on blue &lt; red &lt; green &lt; orange )</h1>\n<p><img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fa182aecc9585abb0b5f6ca22aa655c05%2FScreenshot%202024-04-09%20at%2011.35.56PM.png?generation=1712685983434793&amp;alt=media\"></p>\n<blockquote>\n  <h2>molecule &lt; combined 3 blocks  &lt; combined 2 of 3 blocks &lt; each block ( similarity - it is good sign of capturing the molecule to building blocks relation</h2>\n</blockquote>",
      "rawMarkdown": "**[Notebook - 🧬 BuildingBlock Analysis - Smiles Transformers 🧬](https://www.kaggle.com/code/seshurajup/buildingblock-analysis-smiles-transformers/notebook)** - Using **UdS-LSV/siamese-smole-bert-muv-1x**\n\n# We can clearly see the new building blocks from Train (0,1) vs Test(2)\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fdee5c8785d2db0cb2f44cd921ad80050%2FScreenshot%202024-04-09%20at%2011.23.00PM.png?generation=1712685360104152&alt=media)\n\n---\n\n# Even new building blocks 1 in test set, as per embeddings wise its not\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2F2dc49d92b4afb2a3222a356ec49be984%2FScreenshot%202024-04-09%20at%2011.22.30PM.png?generation=1712685416013514&alt=media) \n\n---\n\n# New building blocks 2 in test set need to be train ( shift domain to be adopt ) \n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fac98f4c8f5fe009417fffbf38f72a38d%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685483013684&alt=media)\n\n---\n\n# New building blocks 3 in test set need to be train ( shift domain to be adopt )\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fe46b250caeb44ab0f54122cfdece4854%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685522260642&alt=media)\n\n---\n\n# Finally is molecule vs building blocks combinations can capture the relation just using only building blocks? ( focus on blue < red < green < orange )\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fa182aecc9585abb0b5f6ca22aa655c05%2FScreenshot%202024-04-09%20at%2011.35.56PM.png?generation=1712685983434793&alt=media)\n> ## molecule < combined 3 blocks  < combined 2 of 3 blocks < each block ( similarity - it is good sign of capturing the molecule to building blocks relation",
      "votes": null
    },
    {
      "id": "2746004",
      "postDate": "04/11/2024 01:35:28",
      "content": "<p>Thanks for sharing <a href=\"https://www.kaggle.com/seshurajup\" target=\"_blank\">@seshurajup</a>! Good insights. How are you computing the emb here?</p>",
      "rawMarkdown": "Thanks for sharing @seshurajup! Good insights. How are you computing the emb here?",
      "votes": null
    },
    {
      "id": "2746122",
      "postDate": "04/11/2024 04:05:17",
      "content": "<p><a href=\"https://www.kaggle.com/drpatrickchan\" target=\"_blank\">@drpatrickchan</a> using <strong>UdS-LSV/siamese-smole-bert-muv-1x</strong></p>",
      "rawMarkdown": "drpatrickchan using **UdS-LSV/siamese-smole-bert-muv-1x**",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 2746004,
      "author_name": "drpatrickchan",
      "author_url": "",
      "post_date": "04/11/2024 01:35:28",
      "content": "<p>Thanks for sharing <a href=\"https://www.kaggle.com/seshurajup\" target=\"_blank\">@seshurajup</a>! Good insights. How are you computing the emb here?</p>",
      "votes": null,
      "replies": [
        {
          "id": 2746122,
          "author_name": "seshurajup",
          "author_url": "",
          "post_date": "04/11/2024 04:05:17",
          "content": "<p><a href=\"https://www.kaggle.com/drpatrickchan\" target=\"_blank\">@drpatrickchan</a> using <strong>UdS-LSV/siamese-smole-bert-muv-1x</strong></p>",
          "votes": null,
          "replies": []
        }
      ]
    }
  ],
  "raw_markdown_by_id": {
    "2744037": "**[Notebook - 🧬 BuildingBlock Analysis - Smiles Transformers 🧬](https://www.kaggle.com/code/seshurajup/buildingblock-analysis-smiles-transformers/notebook)** - Using **UdS-LSV/siamese-smole-bert-muv-1x**\n\n# We can clearly see the new building blocks from Train (0,1) vs Test(2)\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fdee5c8785d2db0cb2f44cd921ad80050%2FScreenshot%202024-04-09%20at%2011.23.00PM.png?generation=1712685360104152&alt=media)\n\n---\n\n# Even new building blocks 1 in test set, as per embeddings wise its not\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2F2dc49d92b4afb2a3222a356ec49be984%2FScreenshot%202024-04-09%20at%2011.22.30PM.png?generation=1712685416013514&alt=media) \n\n---\n\n# New building blocks 2 in test set need to be train ( shift domain to be adopt ) \n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fac98f4c8f5fe009417fffbf38f72a38d%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685483013684&alt=media)\n\n---\n\n# New building blocks 3 in test set need to be train ( shift domain to be adopt )\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fe46b250caeb44ab0f54122cfdece4854%2FScreenshot%202024-04-09%20at%2011.22.08PM.png?generation=1712685522260642&alt=media)\n\n---\n\n# Finally is molecule vs building blocks combinations can capture the relation just using only building blocks? ( focus on blue < red < green < orange )\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-forum-message-attachments/o/inbox%2F761268%2Fa182aecc9585abb0b5f6ca22aa655c05%2FScreenshot%202024-04-09%20at%2011.35.56PM.png?generation=1712685983434793&alt=media)\n> ## molecule < combined 3 blocks  < combined 2 of 3 blocks < each block ( similarity - it is good sign of capturing the molecule to building blocks relation",
    "2746004": "Thanks for sharing @seshurajup! Good insights. How are you computing the emb here?",
    "2746122": "drpatrickchan using **UdS-LSV/siamese-smole-bert-muv-1x**"
  },
  "source": "meta"
}