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_lbd_tox21-multimodal config via script
Browse files- README.md +44 -0
- nr_er_lbd_tox21-multimodal/test-00000-of-00002.parquet +3 -0
- nr_er_lbd_tox21-multimodal/test-00001-of-00002.parquet +3 -0
- nr_er_lbd_tox21-multimodal/train-00000-of-00003.parquet +3 -0
- nr_er_lbd_tox21-multimodal/train-00001-of-00003.parquet +3 -0
- nr_er_lbd_tox21-multimodal/train-00002-of-00003.parquet +3 -0
- nr_er_lbd_tox21-multimodal/validation-00000-of-00001.parquet +3 -0
README.md
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@@ -2008,6 +2008,42 @@ dataset_info:
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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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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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| 2008 |
num_examples: 11025
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| 2009 |
download_size: 84869920
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| 2010 |
dataset_size: 1325392280.44
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| 2011 |
+
- config_name: nr_er_lbd_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-LBD
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dtype: int64
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splits:
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- name: train
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num_bytes: 1331200015.04
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num_examples: 87192
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- name: test
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num_bytes: 621768268.73
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num_examples: 39879
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- name: validation
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num_bytes: 217763518.7
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num_examples: 12810
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download_size: 134438944
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dataset_size: 2170731802.47
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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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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_lbd_tox21-multimodal
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data_files:
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- split: train
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path: nr_er_lbd_tox21-multimodal/train-*
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- split: test
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path: nr_er_lbd_tox21-multimodal/test-*
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- split: validation
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path: nr_er_lbd_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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nr_er_lbd_tox21-multimodal/test-00000-of-00002.parquet
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nr_er_lbd_tox21-multimodal/test-00001-of-00002.parquet
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nr_er_lbd_tox21-multimodal/train-00000-of-00003.parquet
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nr_er_lbd_tox21-multimodal/train-00001-of-00003.parquet
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nr_er_lbd_tox21-multimodal/train-00002-of-00003.parquet
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nr_er_lbd_tox21-multimodal/validation-00000-of-00001.parquet
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