| --- |
| license: apache-2.0 |
| task_categories: |
| - question-answering |
| - image-to-text |
| language: |
| - en |
| tags: |
| - chemistry |
| - molecules |
| - SMILES |
| - molecular-biology |
| size_categories: |
| - 1K<n<10K |
| --- |
| |
| # BACE-V-SMILES Train Dataset |
|
|
| ## Dataset Description |
|
|
| This dataset contains molecular data with visual representations for BACE related compounds. |
|
|
| ### Features |
|
|
| - **Question**: Question related to the molecule |
| - **Answer**: Corresponding answer |
| - **TargetMolecule**: SMILES representation of the target molecule |
| - **SampleMethod**: Method used for sampling |
| - **SampleNum**: Sample number |
| - **SampleRep**: Sample repetition |
| - **image**: Generated molecular structure image from SMILES |
|
|
| ### Dataset Statistics |
|
|
| - **Total samples**: 1208 |
| - **Image format**: PIL Image (RGB) |
| - **Image size**: 300x300 pixels |
|
|
| ### Usage |
|
|
| ```python |
| from datasets import load_dataset |
| |
| dataset = load_dataset("molvision/BACE-V-Train") |
| ``` |
|
|
| ### Data Fields |
|
|
| - `Question` (string): Question text |
| - `Answer` (string): Answer text |
| - `TargetMolecule` (string): SMILES representation |
| - `SampleMethod` (string): Sampling method |
| - `SampleNum` (int): Sample number |
| - `SampleRep` (string): Sample repetition |
| - `image` (PIL.Image): Molecular structure visualization |
|
|
| ### Citation |
|
|
| Please cite this dataset if you use it in your research. |
|
|
