| | --- |
| | license: apache-2.0 |
| | task_categories: |
| | - question-answering |
| | - image-to-text |
| | language: |
| | - en |
| | tags: |
| | - chemistry |
| | - molecules |
| | - SMILES |
| | - molecular-biology |
| | size_categories: |
| | - 1K<n<10K |
| | --- |
| | |
| | # ESOL-V-SMILES Dataset |
| |
|
| | ## Dataset Description |
| |
|
| | This dataset contains molecular data with visual representations for BACE (Beta-secretase 1) 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**: 220 |
| | - **Image format**: PIL Image (RGB) |
| | - **Image size**: 300x300 pixels |
| |
|
| | ### Usage |
| |
|
| | ```python |
| | from datasets import load_dataset |
| | |
| | dataset = load_dataset("molvision/ESOL-V-SMILES-4") |
| | ``` |
| |
|
| | ### 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. |
| |
|
