Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add nr_er_tox21-multimodal config via script
Browse files
README.md
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num_examples: 11025
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download_size: 84869920
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dataset_size: 1325392280.44
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- config_name: sr_atad5_tox21-multimodal
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features:
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- name: IMAGE
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path: nr_aromatase_tox21-multimodal/test-*
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- split: validation
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path: nr_aromatase_tox21-multimodal/validation-*
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- config_name: sr_atad5_tox21-multimodal
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data_files:
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- split: train
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num_examples: 11025
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download_size: 84869920
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dataset_size: 1325392280.44
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+
- config_name: nr_er_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_NR-ER
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dtype: int64
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splits:
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- name: train
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num_bytes: 857942185.05
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num_examples: 78015
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- name: test
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num_bytes: 411181267.22
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num_examples: 35406
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- name: validation
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num_bytes: 143877656.18
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num_examples: 11214
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download_size: 90477269
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dataset_size: 1413001108.45
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- config_name: sr_atad5_tox21-multimodal
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features:
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- name: IMAGE
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path: nr_aromatase_tox21-multimodal/test-*
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- split: validation
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path: nr_aromatase_tox21-multimodal/validation-*
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+
- config_name: nr_er_tox21-multimodal
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data_files:
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- split: train
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path: nr_er_tox21-multimodal/train-*
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- split: test
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path: nr_er_tox21-multimodal/test-*
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+
- split: validation
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+
path: nr_er_tox21-multimodal/validation-*
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- config_name: sr_atad5_tox21-multimodal
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data_files:
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- split: train
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nr_er_tox21-multimodal/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:3683ea2cb505cc1985576d22e75c6b3e7ad19af5c00c342f9c0ebaff69b796da
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| 3 |
+
size 25787837
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nr_er_tox21-multimodal/train-00000-of-00002.parquet
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+
version https://git-lfs.github.com/spec/v1
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| 3 |
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size 27607113
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nr_er_tox21-multimodal/train-00001-of-00002.parquet
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+
version https://git-lfs.github.com/spec/v1
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| 3 |
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size 28085183
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nr_er_tox21-multimodal/validation-00000-of-00001.parquet
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+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:e06c2c646f07e014aa01e4b5d2c765c6fc6d93f731cda6bafe5e667b12907f15
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| 3 |
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size 8997136
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