Benchmarks

14 reproducible benchmarks
PubMedQA accuracy literature

Accuracy on the PubMedQA labelled split.

question-answering bio-nlp
BC5CDR chemical NER nlp

Entity-level F1 for chemical mentions on BC5CDR.

token-classification bio-nlp
Secondary structure (Q3) protein

Three-state secondary structure accuracy.

token-classification protein-ml
BBBP ROC-AUC chemistry

Blood–brain barrier penetration, ROC-AUC.

binary-classification chem-ml
CheXpert AUROC imaging

Mean AUROC across the CheXpert competition findings.

multi-label-classification medical-imaging
ProteinGym DMS zero-shot (Spearman) protein

Spearman correlation between zero-shot model scores and measured fitness across the ProteinGym deep mutational scanning assays.

regression protein-ml
PoseBusters PB-valid rate protein

Share of predicted ligand poses that are within 2 Å RMSD and pass the PoseBusters physical-validity checks.

binary-classification protein-ml
Nucleotide Transformer downstream tasks (MCC) dna

Matthews correlation across the eighteen downstream genomics tasks released with the Nucleotide Transformer.

binary-classification genomics
Genomic Benchmarks accuracy dna

Classification accuracy across the Genomic Benchmarks regulatory sequence datasets.

binary-classification genomics
Splice site prediction (top-k accuracy) rna

Top-k accuracy on donor and acceptor site prediction, the metric reported for SpliceAI.

token-classification rna-ml
RNA secondary structure (F1) rna

Base-pair F1 for predicted RNA secondary structure.

token-classification rna-ml
Cell type annotation (macro F1) single-cell

Macro-averaged F1 for cell type assignment on held-out donors or tissues.

multi-class-classification single-cell
Perturbation response (Pearson on Δ expression) single-cell

Correlation between predicted and measured change in expression for perturbations held out of training.

regression single-cell
MoleculeNet HIV ROC-AUC chemistry

HIV replication inhibition on the MoleculeNet scaffold split, ROC-AUC.

binary-classification chem-ml