All Benchmarks
73 individual benchmarks. Click any column header to sort. Search + filter below.
| Benchmark | Stages | Modalities | Hosted by | Score | Last updated | Links | Flags |
|---|---|---|---|---|---|---|---|
| Open Targets Platform | Disease ModelingTarget ID | cross-modality | elixir | 100.0 | 2025-06 | site · gh · lb | |
| DepMap (Cancer Dependency Map) | Target IDDisease Modeling | cross-modality | 100.0 | 2025-06 | site · gh · lb | ||
| TDC ADMET Group | Lead ID / ADMET | small-molecule | tdcinsilico-scienceaibenchinsilico-ddb | 100.0 | 2025-04 | site · gh · lb | |
| SAbDab | Hit IDLead ID / ADMETDevelopmental Candidate | biologic-mab | 100.0 | 2025-04 | site · gh · lb | ||
| ChEMBL | Hit IDLead ID / ADMET | small-moleculeprotein-general | elixir | 97.5 | 2025-05 | site · gh · lb | |
| Observed Antibody Space (OAS) | Hit IDLead ID / ADMET | biologic-mab | 97.5 | 2025-04 | site · gh · lb | ||
| ProteinGym | Target IDLead ID / ADMETIND-enabling | protein-general | proteingym | 97.5 | 2025-03 | site · gh · lb | |
| PoseBusters | Hit ID | small-moleculeprotein-general | posebusters-initiative | 97.0 | 2025-02 | site · gh · lb | |
| PLINDER | Hit ID | small-moleculeprotein-general | plinder-initiative | 97.0 | 2025-03 | site · gh · lb | |
| STRING | Target IDDisease Modeling | protein-general | elixir | 94.9 | 2024-11 | site · gh · lb | |
| CASP15 | Hit IDTarget ID | protein-general | casp | 94.9 | 2023 | site · gh · lb | |
| CASP16 | Hit ID | protein-generalsmall-molecule | casp | 94.4 | 2024-12 | site · gh · lb | |
| CAMEO weekly targets | Hit ID | protein-generalsmall-molecule | cameo | 94.4 | 2025-05 | site · gh · lb | |
| ORD Reaction Benchmark | Developmental Candidate | small-molecule | open-reaction-database | 93.9 | 2025-04 | site · gh · lb | |
| Open Problems: Perturbation Prediction | Virtual Cell | cross-modality | openproblemsczi-virtual-cell | 91.9 | 2024-12 | site · gh · lb | |
| PrimeKG | Disease ModelingTarget ID | cross-modality | tdc | 91.9 | 2025-02 | site · gh · lb | |
| FAERS (raw) | Post-market / RWE | small-moleculebiologic-mab | faers | 91.1 | 2025-Q2 | site · gh · lb | |
| Longevity Benchmark (Insilico) | Disease ModelingTarget IDPost-market / RWE | cross-modality | insilico-scienceaibenchinsilico-insilicobenchinsilico-ddb | 90.6 | 2026-04 | site · gh · lb | |
| LINCS L1000 / CMap | Virtual CellDisease ModelingTarget ID | small-moleculecross-modality | 89.9 | 2024-03 | site · gh · lb | ||
| canSAR | Target IDHit ID | small-moleculeprotein-general | 89.4 | 2024-09 | site · gh · lb | ||
| MIMIC-IV Benchmark Tasks | Phase IIIClinical DevelopmentPost-market / RWE | cross-modality | mimic | 89.4 | 2025-02 | site · gh · lb | |
| scPerturb | Virtual CellTarget ID | cross-modality | 88.9 | 2024-11 | site · gh · lb | ||
| PINDER | Hit ID | protein-general | plinder-initiative | 88.9 | 2025-03 | site · gh · lb | |
| Practical Molecular Optimization (PMO) | Lead ID / ADMETDevelopmental Candidate | small-molecule | tdc | 88.9 | 2024-10 | site · gh · lb | |
| CoV-AbDab | Hit ID | biologic-mab | 88.9 | 2024-12 | site · gh · lb | ||
| PubChem BioAssay | Hit ID | small-molecule | 88.6 | 2025-05 | site · gh · lb | ||
| Polaris ADMET | Lead ID / ADMET | small-molecule | polaris | 88.4 | 2025-04 | site · gh · lb | |
| CZ Virtual Cell Challenge | Virtual CellTarget ID | cross-modality | czi-virtual-cell | 88.1 | 2025-09 | site · gh · lb | |
| ISM Benchmarks: GPCRs (Insilico) | Hit IDLead ID / ADMET | small-moleculeprotein-general | insilico-scienceaibenchinsilico-insilicobenchinsilico-ddb | 87.6 | 2026-04 | site · gh · lb | |
| CAPRI Rounds | Hit ID | protein-general | capri | 86.3 | 2024-11 | site · gh · lb | |
| ToxCast | Lead ID / ADMETIND-enabling | small-molecule | tdc | 85.6 | 2024-06 | site · gh · lb | |
| TargetBench (Insilico) | Target IDDisease Modeling | cross-modality | insilico-scienceaibenchinsilico-ddb | 84.6 | 2026-04 | site · gh · lb | |
| ISM Benchmarks: ADMET (Insilico) | Lead ID / ADMETIND-enabling | small-molecule | insilico-scienceaibenchinsilico-insilicobenchinsilico-ddb | 84.6 | 2026-04 | site · gh · lb | |
| CAFA5 | Target ID | protein-general | cafa | 84.3 | 2023-12 | site · gh · lb | |
| MoleculeACE | Lead ID / ADMET | small-molecule | 83.3 | 2024-05 | site · gh · lb | ||
| MatBench | Developmental Candidate | cross-modality | insilico-scienceaibenchinsilico-ddb | 83.3 | 2025-02 | site · gh · lb | |
| OffSides / TWOSIDES | Post-market / RWE | small-molecule | faerstdc | 83.0 | 2023-09 | site · gh · lb | |
| ClinBench Quarterly (Insilico) | Phase IIPhase IIIClinical Development | cross-modality | insilico-scienceaibenchinsilico-insilicobenchinsilico-ddb | 81.5 | 2026-04 | site · gh · lb | |
| DOCKSTRING | Hit ID | small-molecule | 81.3 | 2024-07 | site · gh · lb | ||
| DisGeNET | Disease ModelingTarget ID | cross-modality | tdc | 81.0 | 2024-11 | site · gh · lb | license-gated-commercial |
| LIT-PCBA | Hit ID | small-molecule | 80.8 | 2023-06 | site · gh · lb | ||
| FLIP | Target IDDevelopmental Candidate | protein-general | flip | 80.8 | 2024-05 | site · gh · lb | |
| CPTAC Proteogenomic Benchmarks | Disease ModelingTarget IDPhase II | cross-modality | cptac | 80.8 | 2025-03 | site · gh · lb | |
| GuacaMol | Lead ID / ADMETDevelopmental Candidate | small-molecule | moleculenettdc | 80.5 | 2022-07 | site · gh · lb | |
| Open Systems Pharmacology / PK-Sim | Phase IIND-enabling | small-moleculebiologic-mab | 80.3 | 2025-01 | site · gh · lb | ||
| ADMET-AI | Lead ID / ADMET | small-molecule | 79.5 | 2024-12 | site · gh · lb | ||
| AMES (mutagenicity) | IND-enablingLead ID / ADMET | small-molecule | tdcinsilico-ddb | 79.5 | 2025-01 | site · gh · lb | |
| Polaris Biologics (Polyreactivity / SEC / Tm) | Developmental Candidate | biologic-mab | polarisinsilico-scienceaibenchinsilico-ddb | 79.0 | 2025-03 | site · gh · lb | |
| MoleculeNet | Lead ID / ADMETHit ID | small-molecule | moleculenetdeepchempapers-with-code-drug | 78.0 | 2023-11 | site · gh · lb | data-leakage-known |
| USPTO-50K / USPTO-MIT (Retrosynthesis) | Lead ID / ADMETDevelopmental Candidate | small-molecule | tdcpapers-with-code-drug | 78.0 | 2023 | site · gh · lb | data-leakage-known |
| Tox21 | Lead ID / ADMETIND-enabling | small-molecule | moleculenettdc | 77.5 | 2017 | site · gh · lb | |
| IgLM / AntiBERTa benchmarks | Hit IDDevelopmental Candidate | biologic-mab | 77.5 | 2024-08 | site · gh · lb | ||
| Geneformer Eval | Virtual Cell | cross-modality | 77.0 | 2024-11 | site · gh · lb | self_referential | |
| TDC DrugSyn (OncoPolyPharm + DrugComb_NCI60) | Developmental CandidateLead ID / ADMET | small-molecule | tdc | 77.0 | 2024-12 | site · gh · lb | |
| Obach PK Dataset | Phase IIND-enablingLead ID / ADMET | small-molecule | tdcinsilico-ddb | 77.0 | 2024-06 | site · gh · lb | |
| HINT / TrialBench | Phase IIPhase IIIClinical Development | cross-modality | trialbenchtdc | 76.5 | 2024-07 | site · gh · lb | |
| Trial Outcome Prediction (TOP) | Phase IIIClinical Development | cross-modality | trialbench | 76.5 | 2024 | site · gh · lb | |
| CASF-2016 | Hit ID | small-moleculeprotein-general | pdbbind-casf | 76.2 | 2019 | site · gh · lb | |
| PDBbind | Hit IDLead ID / ADMET | small-moleculeprotein-general | pdbbind-casf | 75.9 | 2022-01 | site · gh · lb | data-leakage-known |
| SIDER | Post-market / RWEIND-enabling | small-molecule | faers | 74.9 | 2016 | site · gh · lb | |
| TAPE | Target IDDevelopmental Candidate | protein-general | papers-with-code-drug | 74.9 | 2022 | site · gh · lb | deprecated-recommend-replace |
| Simcyp Validation Sets | Phase IPhase IIIND-enabling | small-molecule | 74.4 | 2024 | site · gh · lb | license-gated-commercial | |
| PEER | Target IDDevelopmental Candidate | protein-general | papers-with-code-drug | 74.4 | 2024 | site · gh · lb | |
| ClawBio Skill Correctness Bench | Disease ModelingTarget IDClinical Development | cross-modality | clawbio | 74.2 | 2026-05-03 | site · gh · lb | |
| hERG (cardio-tox) TDC | IND-enablingLead ID / ADMET | small-molecule | tdcinsilico-scienceaibenchinsilico-ddb | 73.9 | 2025-01 | site · gh · lb | |
| DILI / LD50 Zhu | IND-enablingLead ID / ADMET | small-molecule | tdcinsilico-ddb | 73.9 | 2024-12 | site · gh · lb | |
| scGPT Evaluation Suite | Virtual Cell | cross-modality | 73.7 | 2025-01 | site · gh · lb | self_referential | |
| CT-Outcome (TrialBench v2) | Phase IIPhase III | cross-modality | trialbench | 73.4 | 2025-03 | site · gh · lb | |
| DUD-E | Hit ID | small-molecule | tdc | 72.9 | 2014 | site · gh · lb | data-leakage-knowndeprecated-recommend-replace |
| MOSES | Lead ID / ADMETDevelopmental Candidate | small-molecule | tdcmoleculenet | 72.4 | 2022-04 | site · gh · lb | |
| PerturbBench | Virtual Cell | cross-modality | 71.4 | 2025-06 | site · gh · lb | ||
| ClinTox | Lead ID / ADMETIND-enabling | small-molecule | moleculenettdc | 65.6 | 2022 | site · gh · lb | data-leakage-known |
| DEKOIS 2.0 | Hit ID | small-molecule | 57.5 | 2019 | site · gh · lb | deprecated-recommend-replace |