Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add p_glycoprotein_inhibition_broccatelli_et_al-multimodal config via script
Browse files
README.md
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num_examples: 4577
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download_size: 5136312
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dataset_size: 93939197.99
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- config_name: qm9-multimodal
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features:
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- name: IMAGE
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data_files:
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- split: train
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path: opv-multimodal/train-*
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- config_name: qm9-multimodal
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data_files:
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- split: train
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num_examples: 4577
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download_size: 5136312
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dataset_size: 93939197.99
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+
- config_name: p_glycoprotein_inhibition_broccatelli_et_al-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_name
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dtype: string
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- name: Pgp_inhibition
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dtype: int64
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splits:
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- name: train
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num_bytes: 291075993.65
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num_examples: 16695
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- name: test
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num_bytes: 65610433.84
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num_examples: 4032
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- name: validation
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num_bytes: 57318958.2
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num_examples: 3360
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download_size: 25196691
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dataset_size: 414005385.69
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- config_name: qm9-multimodal
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features:
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- name: IMAGE
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data_files:
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- split: train
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path: opv-multimodal/train-*
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+
- config_name: p_glycoprotein_inhibition_broccatelli_et_al-multimodal
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data_files:
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- split: train
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path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/train-*
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+
- split: test
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path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/test-*
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- split: validation
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path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/validation-*
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- config_name: qm9-multimodal
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data_files:
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- split: train
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p_glycoprotein_inhibition_broccatelli_et_al-multimodal/test-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:16e942d00a6675b0e661b833a30f8220157a4e2eed17ac36aafe3885e67eb81c
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| 3 |
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size 3989737
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p_glycoprotein_inhibition_broccatelli_et_al-multimodal/train-00000-of-00001.parquet
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+
version https://git-lfs.github.com/spec/v1
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+
oid sha256:89eee4ac3c01aa21dd479e61dc0f61dc563015baebce307cf12c0fdb4905904a
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| 3 |
+
size 17786423
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p_glycoprotein_inhibition_broccatelli_et_al-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:b01add679f00d0bb6450a427594000ca7d74ed04f19cfa9cd10f5b06f01d8c68
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| 3 |
+
size 3420531
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