Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
Add pampa_ncats-multimodal config via script
Browse files
README.md
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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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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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num_examples: 3360
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download_size: 25196691
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dataset_size: 414005385.69
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+
- config_name: pampa_ncats-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: permeability
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dtype: int64
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splits:
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- name: validation
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num_bytes: 104215323.03
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+
num_examples: 6069
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- name: train
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num_bytes: 508117358.59
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num_examples: 29757
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- name: test
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num_bytes: 84278901.88
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num_examples: 5124
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download_size: 42345212
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dataset_size: 696611583.5
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- config_name: qm9-multimodal
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features:
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- name: IMAGE
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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: pampa_ncats-multimodal
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data_files:
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- split: validation
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path: pampa_ncats-multimodal/validation-*
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- split: train
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path: pampa_ncats-multimodal/train-*
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- split: test
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path: pampa_ncats-multimodal/test-*
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- config_name: qm9-multimodal
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data_files:
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- split: train
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pampa_ncats-multimodal/test-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:af5c51b7bc05b91d39a21fb5837fbe699d04377cb41e1fcb8b66d863b85c44c0
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+
size 5085054
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pampa_ncats-multimodal/train-00000-of-00002.parquet
ADDED
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version https://git-lfs.github.com/spec/v1
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oid sha256:58460b54d85d7b3b66ced4da6c0a056f3ee0038df636f9477a1d16c56194379a
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+
size 15462520
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pampa_ncats-multimodal/train-00001-of-00002.parquet
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+
version https://git-lfs.github.com/spec/v1
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size 15492060
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pampa_ncats-multimodal/validation-00000-of-00001.parquet
ADDED
@@ -0,0 +1,3 @@
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+
version https://git-lfs.github.com/spec/v1
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oid sha256:f60f059db83f0921ef55c6147196e7704dc96555cd03a3466fe6cf4430d347a7
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size 6305578
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