molvision/ESOL-V-SMILES-4

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

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.