Stage: Developmental Candidate
13 benchmarks, ranked by composite score. ← All stages
| # | Benchmark | Description | Modalities | Score | Flags |
|---|---|---|---|---|---|
| 1 | SAbDab | Structural antibody database — curated PDB antibody structures with annotation. | biologic-mab | 100.0 | |
| 2 | ORD Reaction Benchmark | Reaction benchmarks derived from the Open Reaction Database (yield prediction, condition recommendation). | small-molecule | 93.9 | |
| 3 | Practical Molecular Optimization (PMO) | Budget-aware benchmark for goal-directed molecule optimization with 23 oracle functions. | small-molecule | 88.9 | |
| 4 | MatBench | Materials property prediction benchmark suite (used for some chemistry-adjacent ML). | cross-modality | 83.3 | |
| 5 | FLIP | Fitness landscape inference benchmarks with realistic train/test splits (AAV, GB1, Meltome, SCL, Bind). | protein-general | 80.8 | |
| 6 | GuacaMol | Goal-directed + distribution-learning benchmarks for molecular generative models. | small-molecule | 80.5 | |
| 7 | Polaris Biologics (Polyreactivity / SEC / Tm) | Polaris Hub biologics benchmarks: polyreactivity, SEC-SMAC, Tm + titer. | biologic-mab | 79.0 | |
| 8 | USPTO-50K / USPTO-MIT (Retrosynthesis) | Reactions extracted from USPTO patents; standard retrosynthesis/forward-reaction benchmark. | small-molecule | 78.0 | data-leakage-known |
| 9 | IgLM / AntiBERTa benchmarks | Antibody LM eval — paratope prediction, CDR generation, developability. | biologic-mab | 77.5 | |
| 10 | TDC DrugSyn (OncoPolyPharm + DrugComb_NCI60) | Drug combination synergy benchmark (NCI ALMANAC + OncoPolyPharmacology). | small-molecule | 77.0 | |
| 11 | TAPE | Tasks Assessing Protein Embeddings — 5 tasks (secondary structure, contact, fluorescence, stability, homology). | protein-general | 74.9 | deprecated-recommend-replace |
| 12 | PEER | PEER — 14 protein property prediction tasks across structure/function/interaction. | protein-general | 74.4 | |
| 13 | MOSES | Molecular Sets — distribution learning benchmark with 8 reference metrics on ZINC subset. | small-molecule | 72.4 |