aurigene
Datasets
All datasets matching “aurigene”MoleculeNet_Tox21
Mirrored by Aurigene AI
Discovery stage: Lead optimization
Nuclear-receptor and stress-response toxicity assays from the Tox21 challenge. Multi-task classification.
Rows: 7,831 (tox21.csv 7,831)
Pairs with Aurigene-AI/ChemBERTa-77M-MTR from our model catalogue.
Upstream: scikit-fingerprints/MoleculeNet_Tox21 - all credit to the original authors and to the researchers who produced the underlying data; the dataset card and licence below are theirs.
Explore the rest of the… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MoleculeNet_Tox21.MedQA-USMLE-4-options
Mirrored by Aurigene AI
Discovery stage: Evidence and literature
US Medical Licensing Exam style questions in four-option multiple choice form.
Rows: 11,451 (phrases_no_exclude_test.jsonl 1,273, phrases_no_exclude_train.jsonl 10,178)
Pairs with Aurigene-AI/BioMistral-7B from our model catalogue.
Upstream: GBaker/MedQA-USMLE-4-options - all credit to the original authors and to the researchers who produced the underlying data; the dataset card and licence below are theirs.… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MedQA-USMLE-4-options.MoleculeNet_HIV
Mirrored by Aurigene AI
Discovery stage: Hit generation
Compounds screened for inhibition of HIV replication. The classic large-scale virtual screening benchmark.
Rows: 41,127 (hiv.csv 41,127)
Pairs with Aurigene-AI/MoLFormer-XL-both-10pct from our model catalogue.
Upstream: scikit-fingerprints/MoleculeNet_HIV - all credit to the original authors and to the researchers who produced the underlying data; the dataset card and licence below are theirs.
Explore the rest of the… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MoleculeNet_HIV.MedMCQA
Mirrored by Aurigene AI
Discovery stage: Evidence and literature
Medical entrance exam questions spanning many subjects, for evaluating biomedical reasoning.
Rows: 193,155 (test-00000-of-00001.parquet 6,150, train-00000-of-00001.parquet 182,822, validation-00000-of-00001.parquet 4,183)
Pairs with Aurigene-AI/BioMistral-7B from our model catalogue.
Upstream: openlifescienceai/medmcqa - all credit to the original authors and to the researchers who produced the underlying data;… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MedMCQA.MoleculeNet_BACE
Mirrored by Aurigene AI
Discovery stage: Lead optimization
BACE-1 (beta-secretase 1) inhibition, a validated Alzheimer's disease target. Binary classification.
Rows: 1,513 (bace.csv 1,513)
Pairs with Aurigene-AI/ChemBERTa-77M-MTR from our model catalogue.
Upstream: scikit-fingerprints/MoleculeNet_BACE - all credit to the original authors and to the researchers who produced the underlying data; the dataset card and licence below are theirs.
Explore the rest of the catalogue:… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MoleculeNet_BACE.MoleculeNet_ClinTox
Mirrored by Aurigene AI
Discovery stage: Lead optimization
Clinical trial toxicity outcomes alongside FDA approval status. Two binary tasks.
Rows: 1,477 (clintox.csv 1,477)
Pairs with Aurigene-AI/ChemBERTa-77M-MTR from our model catalogue.
Upstream: scikit-fingerprints/MoleculeNet_ClinTox - all credit to the original authors and to the researchers who produced the underlying data; the dataset card and licence below are theirs.
Explore the rest of the catalogue: Molecule… See the full description on the dataset page: https://huggingface.co/datasets/Aurigene-AI/MoleculeNet_ClinTox.