Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
metadata
dataset_info:
- config_name: MUV_466-multimodal
features:
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dtype: image
- name: template
dtype: string
- name: template_original
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- name: SMILES
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- name: SELFIES
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- name: InChI
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- name: IUPAC
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- name: MUV-466
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- config_name: MUV_644-multimodal
features:
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- config_name: MUV_859-multimodal
features:
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- config_name: aminoacids-multimodal
features:
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- name: type
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- config_name: chebi_20-multimodal
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- config_name: cyp3a4_substrate_carbonmangels-multimodal
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- config_name: hiv-multimodal
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- config_name: nr_aromatase_tox21-multimodal
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- config_name: sr_p53_tox21-multimodal
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dataset_size: 1398433797.82
configs:
- config_name: MUV_466-multimodal
data_files:
- split: validation
path: MUV_466-multimodal/validation-*
- split: test
path: MUV_466-multimodal/test-*
- split: train
path: MUV_466-multimodal/train-*
- config_name: MUV_644-multimodal
data_files:
- split: train
path: MUV_644-multimodal/train-*
- split: validation
path: MUV_644-multimodal/validation-*
- split: test
path: MUV_644-multimodal/test-*
- config_name: MUV_859-multimodal
data_files:
- split: validation
path: MUV_859-multimodal/validation-*
- split: train
path: MUV_859-multimodal/train-*
- split: test
path: MUV_859-multimodal/test-*
- config_name: aminoacids-multimodal
data_files:
- split: train
path: aminoacids-multimodal/train-*
- config_name: chebi_20-multimodal
data_files:
- split: train
path: chebi_20-multimodal/train-*
- split: validation
path: chebi_20-multimodal/validation-*
- split: test
path: chebi_20-multimodal/test-*
- config_name: cyp3a4_substrate_carbonmangels-multimodal
data_files:
- split: validation
path: cyp3a4_substrate_carbonmangels-multimodal/validation-*
- split: train
path: cyp3a4_substrate_carbonmangels-multimodal/train-*
- split: test
path: cyp3a4_substrate_carbonmangels-multimodal/test-*
- config_name: hiv-multimodal
data_files:
- split: train
path: hiv-multimodal/train-*
- split: test
path: hiv-multimodal/test-*
- split: validation
path: hiv-multimodal/validation-*
- config_name: nr_aromatase_tox21-multimodal
data_files:
- split: train
path: nr_aromatase_tox21-multimodal/train-*
- split: test
path: nr_aromatase_tox21-multimodal/test-*
- split: validation
path: nr_aromatase_tox21-multimodal/validation-*
- config_name: sr_p53_tox21-multimodal
data_files:
- split: train
path: sr_p53_tox21-multimodal/train-*
- split: test
path: sr_p53_tox21-multimodal/test-*
- split: validation
path: sr_p53_tox21-multimodal/validation-*