README.md

---
license: mit
task_categories:
- question-answering
language:
- en
---


* `all_clean.json`
  * remove overlapped parts with ChEBI-20 test
  * remove no description SMILES
  * Format:
    ```python
    {
      SMILES <str>:
      [
        ["Please describe the molecule", DESCRIPTION],
        ...,
      ]
    }
    ```
  * Stats
    * max tokens length: 6113
    * min tokens length: 20
    * mean tokens length: 191
    * median tokens length: 149
    * Total 326,689 single turn dialogue. Total 293,302 SMILES examples.


* Size: \
Train: 264,391 \
Valid: 33,072 \
Test: 32,987

* conversation template
  ```python
  'conversation':{
    [
      "from":  "human",
      "value": <QUERY>, # randomly sample from query templates,
    ],
    [
      "from":  "gpt",
      "value": <TEXT>, # description about the given molecule
    ],
  }
  ```

* Each entry in the pickle contains:
  ```
  "graph":
    [
      "edge_index":, # array like (int64) 
      "edge_feat":,  # array like (int64) 
      "node_feat":,  # array like (int64)
      "num_nodes":,  # int
    ],
    "conversation:: # see above
  ```

* 14 query templates
  ```python
    # bear me, we still use <image> token instead of somewhat <molecule> token
    {
     '<image>\nCould you give me a brief overview of this molecule?',
     '<image>\nCould you provide a description of this molecule?',
     '<image>\nDescribe this molecule.',
     '<image>\nPlease give me some details about this molecule.',
     '<image>\nProvide a brief overview of this molecule.',
     '<image>\nProvide a description of this molecule.',
     '<image>\nWhat can you tell me about this molecule?',
     'Could you give me a brief overview of this molecule?\n<image>',
     'Could you provide a description of this molecule?\n<image>',
     'Describe this molecule.\n<image>',
     'Please give me some details about this molecule.\n<image>',
     'Provide a brief overview of this molecule.\n<image>',
     'Provide a description of this molecule.\n<image>',
     'What can you tell me about this molecule?\n<image>'
    }
  ```