Datasetpublic

molvision/Tox21-V-SMILES-0

Tox21-V-SMILES Train Dataset Dataset Description This dataset contains molecular data with visual representations for Tox21 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… See the full description on the dataset page: https://huggingface.co/datasets/molvision/Tox21-V-SMILES-0.

sourceHugging Faceapache-2.0updated 11mo agoView on Hugging Face

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Dataset Card

Tox21-V-SMILES Train Dataset

Dataset Description

This dataset contains molecular data with visual representations for Tox21 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: 6265
—Image format: PIL Image (RGB)
—Image size: 300x300 pixels

Usage

python

from datasets import load_dataset

dataset = load_dataset("molvision/Tox21-V-SMILES-0")

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.