Datasets:
Languages:
English
Size:
10M - 100M
ArXiv:
Tags:
chemistry
scientific-language-interfaced-data
multimodality-data
molecular-imaging
tabular-data
chemistry-mlift
License:
| dataset_info: | |
| - config_name: BACE-multimodal | |
| features: | |
| - name: IMAGE | |
| dtype: image | |
| - name: template | |
| dtype: string | |
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| - name: pIC50 | |
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| - name: BACE_inhibition | |
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| - config_name: BBBP-multimodal | |
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| - config_name: MUV_466-multimodal | |
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| - config_name: MUV_644-multimodal | |
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| - config_name: MUV_652-multimodal | |
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| - config_name: MUV_689-multimodal | |
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| - config_name: MUV_737-multimodal | |
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| - config_name: MUV_846-multimodal | |
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| - config_name: MUV_859-multimodal | |
| features: | |
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| - config_name: SIDER-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: cyp3a4_substrate_carbonmangels-multimodal | |
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| - config_name: cyp_p450_1a2_inhibition_veith_et_al-multimodal | |
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| - config_name: herg_blockers-multimodal | |
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| - config_name: herg_karim_et_al-multimodal | |
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| - config_name: human_intestinal_absorption-multimodal | |
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| - config_name: nr_ar_tox21-multimodal | |
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| - config_name: nr_aromatase_tox21-multimodal | |
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| - config_name: nr_er_tox21-multimodal | |
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| - config_name: opv-multimodal | |
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| - name: train | |
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| - config_name: sarscov2_vitro_touret-multimodal | |
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| - name: IMAGE | |
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| - name: activity_SARSCoV2 | |
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| - name: test | |
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| download_size: 26291803 | |
| dataset_size: 483630656.20000005 | |
| - config_name: sr_atad5_tox21-multimodal | |
| features: | |
| - name: IMAGE | |
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| - name: toxicity_SR-ATAD5 | |
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| - name: validation | |
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| num_examples: 13461 | |
| download_size: 104215405 | |
| dataset_size: 1630270466.6 | |
| - config_name: sr_mmp_tox21-multimodal | |
| features: | |
| - name: IMAGE | |
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| - name: validation | |
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| download_size: 80973043 | |
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| - config_name: sr_p53_tox21-multimodal | |
| features: | |
| - name: IMAGE | |
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| - name: validation | |
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| num_examples: 11058 | |
| download_size: 95003680 | |
| dataset_size: 1398433797.82 | |
| - config_name: thermosol-multimodal | |
| features: | |
| - name: IMAGE | |
| dtype: image | |
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| - name: train | |
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| num_examples: 6140 | |
| download_size: 23617234 | |
| dataset_size: 120049282.39999999 | |
| - config_name: uniprot_binding_sites_multiple-multimodal | |
| features: | |
| - name: IMAGE | |
| dtype: image | |
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| - name: test | |
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| - name: validation | |
| num_bytes: 209416866.86 | |
| num_examples: 10578 | |
| download_size: 1049233833 | |
| dataset_size: 18378592448.52 | |
| configs: | |
| - config_name: BACE-multimodal | |
| data_files: | |
| - split: train | |
| path: BACE-multimodal/train-* | |
| - split: validation | |
| path: BACE-multimodal/validation-* | |
| - split: test | |
| path: BACE-multimodal/test-* | |
| - 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: | |
| - split: validation | |
| 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: | |
| - split: train | |
| 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: | |
| - split: validation | |
| path: MUV_652-multimodal/validation-* | |
| - split: test | |
| path: MUV_652-multimodal/test-* | |
| - split: train | |
| path: MUV_652-multimodal/train-* | |
| - config_name: MUV_689-multimodal | |
| data_files: | |
| - split: validation | |
| path: MUV_689-multimodal/validation-* | |
| - split: train | |
| path: MUV_689-multimodal/train-* | |
| - split: test | |
| path: MUV_689-multimodal/test-* | |
| - 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: half_life_obach-multimodal | |
| data_files: | |
| - split: train | |
| path: half_life_obach-multimodal/train-* | |
| - split: test | |
| path: half_life_obach-multimodal/test-* | |
| - split: validation | |
| path: half_life_obach-multimodal/validation-* | |
| - config_name: herg_blockers-multimodal | |
| data_files: | |
| - split: train | |
| path: herg_blockers-multimodal/train-* | |
| - split: test | |
| path: herg_blockers-multimodal/test-* | |
| - split: validation | |
| path: herg_blockers-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: human_intestinal_absorption-multimodal | |
| data_files: | |
| - split: test | |
| path: human_intestinal_absorption-multimodal/test-* | |
| - split: validation | |
| path: human_intestinal_absorption-multimodal/validation-* | |
| - split: train | |
| path: human_intestinal_absorption-multimodal/train-* | |
| - 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_ar_tox21-multimodal | |
| data_files: | |
| - split: train | |
| path: nr_ar_tox21-multimodal/train-* | |
| - split: test | |
| path: nr_ar_tox21-multimodal/test-* | |
| - split: validation | |
| path: nr_ar_tox21-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: opv-multimodal | |
| data_files: | |
| - split: train | |
| path: opv-multimodal/train-* | |
| - config_name: sarscov2_vitro_touret-multimodal | |
| data_files: | |
| - split: train | |
| path: sarscov2_vitro_touret-multimodal/train-* | |
| - split: validation | |
| path: sarscov2_vitro_touret-multimodal/validation-* | |
| - split: test | |
| path: sarscov2_vitro_touret-multimodal/test-* | |
| - 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-* | |