Benchmark Catalog
90 individually catalogued benchmarks with 7-criterion composite scoring and experimental validation tier. Filter, sort, compare up to 4 side-by-side.
| ☐ | Name | Stages | Modalities | Validation | Score | Flags | Updated |
|---|---|---|---|---|---|---|---|
| Open Targets Platform | Disease ModelingTarget ID | cross-modality | Wet-lab confirmed | 100.0 | 2025-06 | ||
| DepMap (Cancer Dependency Map) | Target IDDisease Modeling | cross-modality | Wet-lab confirmed | 100.0 | 2025-06 | ||
| TDC ADMET Group | Lead ID / ADMET | small-molecule | Retrospective | 100.0 | 2025-04 | ||
| SAbDab | Hit IDLead ID / ADMETDevelopmental Candidate | biologic-mab | Retrospective | 100.0 | 2025-04 | ||
| Protein Language Model Eval 2026 | Virtual CellHit ID | biologic | Wet-lab confirmed | 100.0 | 2026-04 | ||
| ChEMBL | Hit IDLead ID / ADMET | small-moleculeprotein-general | Wet-lab confirmed | 97.5 | 2025-05 | ||
| Observed Antibody Space (OAS) | Hit IDLead ID / ADMET | biologic-mab | Retrospective | 97.5 | 2025-04 | ||
| ProteinGym | Target IDLead ID / ADMETIND-enabling | protein-general | Wet-lab confirmed | 97.5 | 2025-03 | ||
| PoseBusters | Hit ID | small-moleculeprotein-general | Retrospective | 97.0 | 2025-02 | ||
| PLINDER | Hit ID | small-moleculeprotein-general | Retrospective | 97.0 | 2025-03 | ||
| Virtual Cell Benchmark Suite 2026 | Virtual Cell | cross-modality | Prospective | 97.0 | 2026-04 | ||
| PLINDER v2 Protein-Ligand Benchmark | Hit ID | small-moleculebiologic | Retrospective | 97.0 | 2026-03 | ||
| Therapeutic Antibody Design Benchmark 2026 | Hit IDLead ID / ADMET | biologic | Wet-lab confirmed | 97.0 | 2026-04 | ||
| Protein Design Benchmark 2026 | Hit ID | biologic | Wet-lab confirmed | 97.0 | 2026-04 | ||
| STRING | Target IDDisease Modeling | protein-general | Retrospective | 94.9 | 2024-11 | ||
| CASP15 | Hit IDTarget ID | protein-general | Retrospective | 94.9 | 2023 | ||
| RxRx3 Phenomics Benchmark | Hit IDLead ID / ADMET | small-molecule | Wet-lab confirmed | 94.9 | 2026-03 | ||
| CASP16 | Hit ID | protein-generalsmall-molecule | Retrospective | 94.4 | 2024-12 | ||
| CAMEO weekly targets | Hit ID | protein-generalsmall-molecule | Retrospective | 94.4 | 2025-05 | ||
| Boltz-1 Structure Prediction Benchmark | Hit ID | biologicsmall-molecule | Retrospective | 94.4 | 2026-02 | ||
| ORD Reaction Benchmark | Developmental Candidate | small-molecule | Retrospective | 93.9 | 2025-04 | ||
| ASAP Discovery Antiviral 2025 | Hit IDLead ID / ADMET | small-molecule | Prospective | 93.9 | 2026-02 | ||
| Open Problems: Perturbation Prediction | Virtual Cell | cross-modality | Retrospective | 91.9 | 2024-12 | ||
| PrimeKG | Disease ModelingTarget ID | cross-modality | Retrospective | 91.9 | 2025-02 | ||
| FAERS (raw) | Post-market / RWE | small-moleculebiologic-mab | Retrospective | 91.1 | 2025-Q2 | ||
| Longevity Benchmark (Insilico) | Disease ModelingTarget IDPost-market / RWE | cross-modality | Prospective | 90.6 | 2026-04 | ||
| LINCS L1000 / CMap | Virtual CellDisease ModelingTarget ID | small-moleculecross-modality | Wet-lab confirmed | 89.9 | 2024-03 | ||
| canSAR | Target IDHit ID | small-moleculeprotein-general | Wet-lab confirmed | 89.4 | 2024-09 | ||
| MIMIC-IV Benchmark Tasks | Phase IIIClinical DevelopmentPost-market / RWE | cross-modality | Clinical | 89.4 | 2025-02 | ||
| scPerturb | Virtual CellTarget ID | cross-modality | Retrospective | 88.9 | 2024-11 | ||
| PINDER | Hit ID | protein-general | Retrospective | 88.9 | 2025-03 | ||
| Practical Molecular Optimization (PMO) | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 88.9 | 2024-10 | ||
| CoV-AbDab | Hit ID | biologic-mab | Retrospective | 88.9 | 2024-12 | ||
| PubChem BioAssay | Hit ID | small-molecule | Wet-lab confirmed | 88.6 | 2025-05 | ||
| Polaris ADMET | Lead ID / ADMET | small-molecule | Prospective | 88.4 | 2025-04 | ||
| CZ Virtual Cell Challenge | Virtual CellTarget ID | cross-modality | Prospective | 88.1 | 2025-09 | ||
| Cell Line Sensitivity Benchmark (CLSB) | Target IDLead ID / ADMET | small-molecule | Wet-lab confirmed | 88.1 | 2026-03 | ||
| ISM Benchmarks: GPCRs (Insilico) | Hit IDLead ID / ADMET | small-moleculeprotein-general | Retrospective | 87.6 | 2026-04 | ||
| ClinBench Quarterly — Q2 2026 | phase-iiphase-iiiClinical Development | cross-modality | Clinical | 87.6 | 2026-04 | ||
| CAPRI Rounds | Hit ID | protein-general | Retrospective | 86.3 | 2024-11 | ||
| ToxCast | Lead ID / ADMETIND-enabling | small-molecule | Retrospective | 85.6 | 2024-06 | ||
| GNNBench-Drug 2026 | Hit IDLead ID / ADMET | small-molecule | Retrospective | 85.6 | 2026-03 | ||
| TargetBench (Insilico) | Target IDDisease Modeling | cross-modality | Wet-lab confirmed | 84.6 | 2026-04 | ||
| ISM Benchmarks: ADMET (Insilico) | Lead ID / ADMETIND-enabling | small-molecule | Wet-lab confirmed | 84.6 | 2026-04 | ||
| Longevity Compound Benchmark | Hit IDLead ID / ADMET | small-molecule | Wet-lab confirmed | 84.6 | 2026-04 | ||
| CAFA5 | Target ID | protein-general | Retrospective | 84.3 | 2023-12 | ||
| MoleculeACE | Lead ID / ADMET | small-molecule | Retrospective | 83.3 | 2024-05 | ||
| MatBench | Developmental Candidate | cross-modality | Retrospective | 83.3 | 2025-02 | ||
| OffSides / TWOSIDES | Post-market / RWE | small-molecule | Retrospective | 83.0 | 2023-09 | ||
| DrugComb 2.0 Synergy Benchmark | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 83.0 | 2026-03 | ||
| DMPK Integrated Benchmark | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 82.5 | 2026-02 | ||
| mRNA Design Benchmark (CodonBench 2026) | Hit IDLead ID / ADMET | rna-therapeutic | Prospective | 82.0 | 2026-04 | ||
| ClinBench Quarterly (Insilico) | Phase IIPhase IIIClinical Development | cross-modality | Clinical | 81.5 | 2026-04 | ||
| DOCKSTRING | Hit ID | small-molecule | Retrospective | 81.3 | 2024-07 | ||
| DisGeNET | Disease ModelingTarget ID | cross-modality | Retrospective | 81.0 | license-gated-commercial | 2024-11 | |
| LIT-PCBA | Hit ID | small-molecule | Retrospective | 80.8 | 2023-06 | ||
| FLIP | Target IDDevelopmental Candidate | protein-general | Retrospective | 80.8 | 2024-05 | ||
| CPTAC Proteogenomic Benchmarks | Disease ModelingTarget IDPhase II | cross-modality | Clinical | 80.8 | 2025-03 | ||
| GuacaMol | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 80.5 | 2022-07 | ||
| Open Systems Pharmacology / PK-Sim | Phase IIND-enabling | small-moleculebiologic-mab | Retrospective | 80.3 | 2025-01 | ||
| ADMET-AI | Lead ID / ADMET | small-molecule | Retrospective | 79.5 | 2024-12 | ||
| AMES (mutagenicity) | IND-enablingLead ID / ADMET | small-molecule | Retrospective | 79.5 | 2025-01 | ||
| scImmuneBench | Virtual CellDisease Modeling | cell-therapy | Retrospective | 79.5 | 2026-03 | ||
| CRISPR Outcome Prediction Benchmark | Hit ID | gene-therapy | Wet-lab confirmed | 79.5 | 2026-02 | ||
| Polaris Biologics (Polyreactivity / SEC / Tm) | Developmental Candidate | biologic-mab | Prospective | 79.0 | 2025-03 | ||
| MoleculeNet | Lead ID / ADMETHit ID | small-molecule | Retrospective | 78.0 | data-leakage-known | 2023-11 | |
| USPTO-50K / USPTO-MIT (Retrosynthesis) | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 78.0 | data-leakage-known | 2023 | |
| Tox21 | Lead ID / ADMETIND-enabling | small-molecule | Retrospective | 77.5 | 2017 | ||
| IgLM / AntiBERTa benchmarks | Hit IDDevelopmental Candidate | biologic-mab | Wet-lab confirmed | 77.5 | 2024-08 | ||
| Geneformer Eval | Virtual Cell | cross-modality | Wet-lab confirmed | 77.0 | self_referential | 2024-11 | |
| TDC DrugSyn (OncoPolyPharm + DrugComb_NCI60) | Developmental CandidateLead ID / ADMET | small-molecule | Wet-lab confirmed | 77.0 | 2024-12 | ||
| Obach PK Dataset | Phase IIND-enablingLead ID / ADMET | small-molecule | Retrospective | 77.0 | 2024-06 | ||
| HINT / TrialBench | Phase IIPhase IIIClinical Development | cross-modality | Clinical | 76.5 | 2024-07 | ||
| Trial Outcome Prediction (TOP) | Phase IIIClinical Development | cross-modality | Clinical | 76.5 | 2024 | ||
| CASF-2016 | Hit ID | small-moleculeprotein-general | Retrospective | 76.2 | 2019 | ||
| PDBbind | Hit IDLead ID / ADMET | small-moleculeprotein-general | Retrospective | 75.9 | data-leakage-known | 2022-01 | |
| SIDER | Post-market / RWEIND-enabling | small-molecule | Retrospective | 74.9 | 2016 | ||
| TAPE | Target IDDevelopmental Candidate | protein-general | Retrospective | 74.9 | deprecated-recommend-replace | 2022 | |
| Simcyp Validation Sets | Phase IPhase IIIND-enabling | small-molecule | Retrospective | 74.4 | license-gated-commercial | 2024 | |
| PEER | Target IDDevelopmental Candidate | protein-general | Retrospective | 74.4 | 2024 | ||
| ClawBio Skill Correctness Bench | Disease ModelingTarget IDClinical Development | cross-modality | Retrospective | 74.2 | 2026-05-03 | ||
| hERG (cardio-tox) TDC | IND-enablingLead ID / ADMET | small-molecule | Retrospective | 73.9 | 2025-01 | ||
| DILI / LD50 Zhu | IND-enablingLead ID / ADMET | small-molecule | Retrospective | 73.9 | 2024-12 | ||
| scGPT Evaluation Suite | Virtual Cell | cross-modality | Wet-lab confirmed | 73.7 | self_referential | 2025-01 | |
| CT-Outcome (TrialBench v2) | Phase IIPhase III | cross-modality | Clinical | 73.4 | 2025-03 | ||
| DUD-E | Hit ID | small-molecule | Retrospective | 72.9 | data-leakage-knowndeprecated-recommend-replace | 2014 | |
| MOSES | Lead ID / ADMETDevelopmental Candidate | small-molecule | Retrospective | 72.4 | 2022-04 | ||
| PerturbBench | Virtual Cell | cross-modality | Retrospective | 71.4 | 2025-06 | ||
| ClinTox | Lead ID / ADMETIND-enabling | small-molecule | Retrospective | 65.6 | data-leakage-known | 2022 | |
| DEKOIS 2.0 | Hit ID | small-molecule | Retrospective | 57.5 | deprecated-recommend-replace | 2019 |