datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
BBBP-V-SMILES-2
BBBP Dataset
This dataset contains BBBP (Blood-Brain Barrier Penetration) molecule images generated from SMILES strings.
Dataset Structure
Question: The question associated with the molecule
Answer: The answer associated with the molecule
TargetMolecule: SMILES representation of the molecule
SampleMethod: Method used for sampling
SampleNum: Sample number
SampleRep: Sample representation
file_name: The file path to the molecule image
Usage
from datasets import… See the full description on the dataset page: https://huggingface.co/datasets/ChemVision/BBBP-V-SMILES-2.BBBP-V-SMILES-2
BBBP-V-SMILES Dataset
Dataset Description
This dataset contains molecular data with visual representations for BBBP (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… See the full description on the dataset page: https://huggingface.co/datasets/molvision/BBBP-V-SMILES-2.BBBP-V-Train
BBBP-V-SMILES Train Dataset
Dataset Description
This dataset contains molecular data with visual representations for BBBP 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… See the full description on the dataset page: https://huggingface.co/datasets/molvision/BBBP-V-Train.BBBP-V-SMILES-0
BBBP-V-SMILES Train Dataset
Dataset Description
This dataset contains molecular data with visual representations for BBBP 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… See the full description on the dataset page: https://huggingface.co/datasets/molvision/BBBP-V-SMILES-0.BBBP-multimodalBBBP-V-SMILES-4
BBBP-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… See the full description on the dataset page: https://huggingface.co/datasets/molvision/BBBP-V-SMILES-4.