{
  "id": 223378,
  "title": "Any interesting libraries that might be used?",
  "url": "/competitions/bms-molecular-translation/discussion/223378",
  "author_name": "",
  "post_date": "2021-03-03T15:05:13.075701800Z",
  "votes": 3,
  "comment_count": 2,
  "views": 0,
  "content": "<p>I was going through the problem and wondered if there are similar problems that have been solved. Found a bunch of libraries that might be relevant but that got me even more confused. What useful libraries/open-source code have you all found so far?</p>",
  "messages": [
    {
      "id": "1225359",
      "postDate": "03/03/2021 15:05:13",
      "content": "<p>I was going through the problem and wondered if there are similar problems that have been solved. Found a bunch of libraries that might be relevant but that got me even more confused. What useful libraries/open-source code have you all found so far?</p>",
      "rawMarkdown": "I was going through the problem and wondered if there are similar problems that have been solved. Found a bunch of libraries that might be relevant but that got me even more confused. What useful libraries/open-source code have you all found so far?",
      "votes": null
    },
    {
      "id": "1225366",
      "postDate": "03/03/2021 15:09:09",
      "content": "<p>Read the resource about <a href=\"https://www.rdkit.org/docs/source/rdkit.Chem.inchi.html\" target=\"_blank\">rdkit.Chem.inchi module</a> if you want to work with <a href=\"https://www.rdkit.org/docs/index.html#\" target=\"_blank\">RDKit</a>.</p>",
      "rawMarkdown": "Read the resource about [rdkit.Chem.inchi module](https://www.rdkit.org/docs/source/rdkit.Chem.inchi.html) if you want to work with [RDKit](https://www.rdkit.org/docs/index.html#).",
      "votes": null
    },
    {
      "id": "1226721",
      "postDate": "03/04/2021 19:28:59",
      "content": "<p>For useful libraries, <code>rdkit</code> is an excellent resource to parse InChIs.  Another package, <code>deepsmiles</code> may be useful for text-based LSTM approaches.  For alternate parameterization of the InChIs, <code>deepchem</code> has a lot of resources.</p>",
      "rawMarkdown": "For useful libraries, `rdkit` is an excellent resource to parse InChIs.  Another package, `deepsmiles` may be useful for text-based LSTM approaches.  For alternate parameterization of the InChIs, `deepchem` has a lot of resources.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 1225366,
      "author_name": "hiramcho",
      "author_url": "",
      "post_date": "03/03/2021 15:09:09",
      "content": "<p>Read the resource about <a href=\"https://www.rdkit.org/docs/source/rdkit.Chem.inchi.html\" target=\"_blank\">rdkit.Chem.inchi module</a> if you want to work with <a href=\"https://www.rdkit.org/docs/index.html#\" target=\"_blank\">RDKit</a>.</p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 1226721,
      "author_name": "jakealbrecht1337",
      "author_url": "",
      "post_date": "03/04/2021 19:28:59",
      "content": "<p>For useful libraries, <code>rdkit</code> is an excellent resource to parse InChIs.  Another package, <code>deepsmiles</code> may be useful for text-based LSTM approaches.  For alternate parameterization of the InChIs, <code>deepchem</code> has a lot of resources.</p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "1225359": "I was going through the problem and wondered if there are similar problems that have been solved. Found a bunch of libraries that might be relevant but that got me even more confused. What useful libraries/open-source code have you all found so far?",
    "1225366": "Read the resource about [rdkit.Chem.inchi module](https://www.rdkit.org/docs/source/rdkit.Chem.inchi.html) if you want to work with [RDKit](https://www.rdkit.org/docs/index.html#).",
    "1226721": "For useful libraries, `rdkit` is an excellent resource to parse InChIs.  Another package, `deepsmiles` may be useful for text-based LSTM approaches.  For alternate parameterization of the InChIs, `deepchem` has a lot of resources."
  },
  "source": "meta"
}