Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Update README.md
Browse files
README.md
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num_examples: 510
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download_size: 2084311331
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dataset_size: 28006822736.24
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- config_name: rdkit_features-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: 'Unnamed: 0'
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dtype: int64
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- name: formula
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dtype: string
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- name: NumHDonors
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dtype: float64
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- name: NumHAcceptors
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dtype: float64
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- name: MolLogP
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dtype: float64
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- name: NumHeteroatoms
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dtype: float64
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- name: RingCount
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dtype: float64
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- name: NumRotatableBonds
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dtype: float64
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- name: NumAromaticBonds
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dtype: float64
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- name: NumAcidGroups
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dtype: float64
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- name: NumBasicGroups
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dtype: float64
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- name: Apol
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dtype: float64
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- name: __index_level_0__
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dtype: int64
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splits:
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- name: train
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num_bytes: 244396191.4
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num_examples: 22320
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download_size: 14480323
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dataset_size: 244396191.4
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- config_name: rdkit_features-multimodal-chunk-1
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features:
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- name: IMAGE
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num_examples: 510
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download_size: 2084311331
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dataset_size: 28006822736.24
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- config_name: rdkit_features-multimodal-chunk-1
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features:
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- name: IMAGE
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