Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add BACE-multimodal config via script
Browse files
BACE-multimodal/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:58f4c6625e91396ab9e052e3d881916b28ce70e618efe0fc7ad972e92aff5929
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size 567227
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BACE-multimodal/train-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:3850d3fa260eea2a2d001834507dc3ea5804c231b0021e4cada1ab8b56816c19
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size 10071585
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BACE-multimodal/validation-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:43b2949ea12d3fa04d0e7ff0a0f165dd669b592c7d5dd7276f6257e45b9ffda8
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size 898106
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README.md
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---
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dataset_info:
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- config_name: BBBP-multimodal
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features:
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- name: IMAGE
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download_size: 1049233833
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dataset_size: 18378592448.52
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configs:
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- config_name: BBBP-multimodal
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data_files:
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- split: test
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---
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dataset_info:
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- config_name: BACE-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: pIC50
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dtype: float64
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- name: BACE_inhibition
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dtype: int64
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splits:
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- name: train
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num_bytes: 99520461.8
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num_examples: 5440
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- name: validation
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num_bytes: 8833985.0
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num_examples: 480
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- name: test
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num_bytes: 5521407.0
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num_examples: 320
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download_size: 11536918
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dataset_size: 113875853.8
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- config_name: BBBP-multimodal
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features:
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- name: IMAGE
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download_size: 1049233833
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dataset_size: 18378592448.52
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configs:
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- config_name: BACE-multimodal
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data_files:
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- split: train
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path: BACE-multimodal/train-*
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- split: validation
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path: BACE-multimodal/validation-*
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- split: test
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path: BACE-multimodal/test-*
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- config_name: BBBP-multimodal
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data_files:
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- split: test
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