Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add sr_hse_tox21-multimodal config via script
Browse files- README.md +44 -0
- sr_hse_tox21-multimodal/test-00000-of-00002.parquet +3 -0
- sr_hse_tox21-multimodal/test-00001-of-00002.parquet +3 -0
- sr_hse_tox21-multimodal/train-00000-of-00003.parquet +3 -0
- sr_hse_tox21-multimodal/train-00001-of-00003.parquet +3 -0
- sr_hse_tox21-multimodal/train-00002-of-00003.parquet +3 -0
- sr_hse_tox21-multimodal/validation-00000-of-00001.parquet +3 -0
README.md
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num_examples: 13461
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download_size: 104215405
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dataset_size: 1630270466.6
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- config_name: sr_mmp_tox21-multimodal
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features:
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- name: IMAGE
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path: sr_atad5_tox21-multimodal/test-*
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- split: validation
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path: sr_atad5_tox21-multimodal/validation-*
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- config_name: sr_mmp_tox21-multimodal
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data_files:
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- split: train
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num_examples: 13461
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download_size: 104215405
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dataset_size: 1630270466.6
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+
- config_name: sr_hse_tox21-multimodal
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features:
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- name: IMAGE
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dtype: image
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- name: template
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dtype: string
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- name: template_original
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dtype: string
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- name: SMILES
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dtype: string
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- name: SMILES_ORIGINAL
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dtype: string
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- name: SELFIES
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dtype: string
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- name: InChI
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dtype: string
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- name: IUPAC
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dtype: string
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- name: split
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dtype: string
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- name: compound_id
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dtype: string
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- name: toxicity_SR-HSE
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dtype: int64
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splits:
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- name: train
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num_bytes: 1207342496.25
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num_examples: 81375
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- name: test
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num_bytes: 585057235.21
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num_examples: 38283
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- name: validation
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num_bytes: 197451330.98
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num_examples: 12054
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download_size: 122777685
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dataset_size: 1989851062.44
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- config_name: sr_mmp_tox21-multimodal
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features:
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- name: IMAGE
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path: sr_atad5_tox21-multimodal/test-*
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- split: validation
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path: sr_atad5_tox21-multimodal/validation-*
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+
- config_name: sr_hse_tox21-multimodal
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data_files:
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- split: train
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path: sr_hse_tox21-multimodal/train-*
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- split: test
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path: sr_hse_tox21-multimodal/test-*
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- split: validation
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path: sr_hse_tox21-multimodal/validation-*
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- config_name: sr_mmp_tox21-multimodal
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data_files:
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- split: train
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sr_hse_tox21-multimodal/test-00000-of-00002.parquet
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sr_hse_tox21-multimodal/train-00000-of-00003.parquet
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sr_hse_tox21-multimodal/validation-00000-of-00001.parquet
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