Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add clintox-multimodal config via script
Browse files
README.md
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num_examples: 330
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download_size: 511908414
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dataset_size: 4601889843.3
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- config_name: cyp3a4_substrate_carbonmangels-multimodal
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features:
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- name: IMAGE
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path: chebi_20-multimodal/validation-*
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- split: test
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path: chebi_20-multimodal/test-*
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- config_name: cyp3a4_substrate_carbonmangels-multimodal
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data_files:
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- split: validation
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num_examples: 330
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download_size: 511908414
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dataset_size: 4601889843.3
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+
- config_name: clintox-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: clinical_toxicity
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dtype: int64
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splits:
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- name: train
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num_bytes: 234537091.9
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num_examples: 17670
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- name: test
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num_bytes: 67453862.81
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num_examples: 5263
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- name: validation
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num_bytes: 49762678.58
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num_examples: 3534
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download_size: 23562688
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dataset_size: 351753633.29
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- config_name: cyp3a4_substrate_carbonmangels-multimodal
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features:
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- name: IMAGE
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path: chebi_20-multimodal/validation-*
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- split: test
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path: chebi_20-multimodal/test-*
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+
- config_name: clintox-multimodal
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data_files:
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- split: train
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path: clintox-multimodal/train-*
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- split: test
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path: clintox-multimodal/test-*
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+
- split: validation
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path: clintox-multimodal/validation-*
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- config_name: cyp3a4_substrate_carbonmangels-multimodal
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data_files:
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- split: validation
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clintox-multimodal/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:c65a08671864a548ce5dfa87e85937da299f49ea299a0d26eb12e7eb2d50a3c1
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size 4583596
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clintox-multimodal/train-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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+
oid sha256:223de90d15deaa536b0fbbc8f2292672d7738d1c7b28d5cca86bccecf869c815
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+
size 15627685
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clintox-multimodal/validation-00000-of-00001.parquet
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+
version https://git-lfs.github.com/spec/v1
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| 2 |
+
oid sha256:581862a71fc4b3e266aa43a0671cf2e1329f5beeab0781b6697fef1d66727fc6
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| 3 |
+
size 3351407
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