| 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 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**: 303 | |
| - **Image format**: PIL Image (RGB) | |
| - **Image size**: 300x300 pixels | |
| ### Usage | |
| ```python | |
| from datasets import load_dataset | |
| dataset = load_dataset("molvision/BACE-V-SMILES-2") | |
| ``` | |
| ### 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. | |