Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
metadata
dataset_info:
- config_name: BBBP-multimodal
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- config_name: MUV_466-multimodal
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- config_name: aminoacids-multimodal
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- config_name: caco2_wang-multimodal
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- config_name: carcinogens-multimodal
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- config_name: chebi_20-multimodal
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- config_name: clearance_astrazeneca-multimodal
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- config_name: sr_atad5_tox21-multimodal
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- config_name: sr_p53_tox21-multimodal
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- config_name: thermosol-multimodal
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- config_name: uniprot_binding_sites_multiple-multimodal
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configs:
- config_name: BBBP-multimodal
data_files:
- split: test
path: BBBP-multimodal/test-*
- split: train
path: BBBP-multimodal/train-*
- split: validation
path: BBBP-multimodal/validation-*
- config_name: MUV_466-multimodal
data_files:
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path: MUV_466-multimodal/validation-*
- split: test
path: MUV_466-multimodal/test-*
- split: train
path: MUV_466-multimodal/train-*
- config_name: MUV_644-multimodal
data_files:
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path: MUV_644-multimodal/train-*
- split: validation
path: MUV_644-multimodal/validation-*
- split: test
path: MUV_644-multimodal/test-*
- config_name: MUV_652-multimodal
data_files:
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path: MUV_652-multimodal/validation-*
- split: test
path: MUV_652-multimodal/test-*
- split: train
path: MUV_652-multimodal/train-*
- config_name: MUV_737-multimodal
data_files:
- split: validation
path: MUV_737-multimodal/validation-*
- split: train
path: MUV_737-multimodal/train-*
- split: test
path: MUV_737-multimodal/test-*
- config_name: MUV_846-multimodal
data_files:
- split: train
path: MUV_846-multimodal/train-*
- split: test
path: MUV_846-multimodal/test-*
- split: validation
path: MUV_846-multimodal/validation-*
- config_name: MUV_859-multimodal
data_files:
- split: validation
path: MUV_859-multimodal/validation-*
- split: train
path: MUV_859-multimodal/train-*
- split: test
path: MUV_859-multimodal/test-*
- config_name: SIDER-multimodal
data_files:
- split: train
path: SIDER-multimodal/train-*
- split: test
path: SIDER-multimodal/test-*
- split: validation
path: SIDER-multimodal/validation-*
- config_name: aminoacids-multimodal
data_files:
- split: train
path: aminoacids-multimodal/train-*
- config_name: caco2_wang-multimodal
data_files:
- split: test
path: caco2_wang-multimodal/test-*
- split: train
path: caco2_wang-multimodal/train-*
- split: validation
path: caco2_wang-multimodal/validation-*
- config_name: carcinogens-multimodal
data_files:
- split: train
path: carcinogens-multimodal/train-*
- split: test
path: carcinogens-multimodal/test-*
- split: validation
path: carcinogens-multimodal/validation-*
- config_name: chebi_20-multimodal
data_files:
- split: train
path: chebi_20-multimodal/train-*
- split: validation
path: chebi_20-multimodal/validation-*
- split: test
path: chebi_20-multimodal/test-*
- config_name: clearance_astrazeneca-multimodal
data_files:
- split: train
path: clearance_astrazeneca-multimodal/train-*
- split: test
path: clearance_astrazeneca-multimodal/test-*
- split: validation
path: clearance_astrazeneca-multimodal/validation-*
- config_name: clintox-multimodal
data_files:
- split: train
path: clintox-multimodal/train-*
- split: test
path: clintox-multimodal/test-*
- split: validation
path: clintox-multimodal/validation-*
- config_name: cyp3a4_substrate_carbonmangels-multimodal
data_files:
- split: validation
path: cyp3a4_substrate_carbonmangels-multimodal/validation-*
- split: train
path: cyp3a4_substrate_carbonmangels-multimodal/train-*
- split: test
path: cyp3a4_substrate_carbonmangels-multimodal/test-*
- config_name: cyp_p450_1a2_inhibition_veith_et_al-multimodal
data_files:
- split: test
path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/test-*
- split: train
path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/train-*
- split: validation
path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/validation-*
- config_name: herg_karim_et_al-multimodal
data_files:
- split: train
path: herg_karim_et_al-multimodal/train-*
- split: validation
path: herg_karim_et_al-multimodal/validation-*
- split: test
path: herg_karim_et_al-multimodal/test-*
- config_name: hiv-multimodal
data_files:
- split: train
path: hiv-multimodal/train-*
- split: test
path: hiv-multimodal/test-*
- split: validation
path: hiv-multimodal/validation-*
- config_name: ld50_catmos-multimodal
data_files:
- split: train
path: ld50_catmos-multimodal/train-*
- split: test
path: ld50_catmos-multimodal/test-*
- split: validation
path: ld50_catmos-multimodal/validation-*
- config_name: nr_aromatase_tox21-multimodal
data_files:
- split: train
path: nr_aromatase_tox21-multimodal/train-*
- split: test
path: nr_aromatase_tox21-multimodal/test-*
- split: validation
path: nr_aromatase_tox21-multimodal/validation-*
- config_name: nr_er_tox21-multimodal
data_files:
- split: train
path: nr_er_tox21-multimodal/train-*
- split: test
path: nr_er_tox21-multimodal/test-*
- split: validation
path: nr_er_tox21-multimodal/validation-*
- config_name: sr_atad5_tox21-multimodal
data_files:
- split: train
path: sr_atad5_tox21-multimodal/train-*
- split: test
path: sr_atad5_tox21-multimodal/test-*
- split: validation
path: sr_atad5_tox21-multimodal/validation-*
- config_name: sr_mmp_tox21-multimodal
data_files:
- split: train
path: sr_mmp_tox21-multimodal/train-*
- split: test
path: sr_mmp_tox21-multimodal/test-*
- split: validation
path: sr_mmp_tox21-multimodal/validation-*
- config_name: sr_p53_tox21-multimodal
data_files:
- split: train
path: sr_p53_tox21-multimodal/train-*
- split: test
path: sr_p53_tox21-multimodal/test-*
- split: validation
path: sr_p53_tox21-multimodal/validation-*
- config_name: thermosol-multimodal
data_files:
- split: validation
path: thermosol-multimodal/validation-*
- split: test
path: thermosol-multimodal/test-*
- split: train
path: thermosol-multimodal/train-*
- config_name: uniprot_binding_sites_multiple-multimodal
data_files:
- split: train
path: uniprot_binding_sites_multiple-multimodal/train-*
- split: test
path: uniprot_binding_sites_multiple-multimodal/test-*
- split: validation
path: uniprot_binding_sites_multiple-multimodal/validation-*