ProteinGym
Versioned deep-mutational-scanning and clinical-variant benchmarks for protein fitness prediction and design in zero-shot and supervised regimes.
Scientific task · Molecular interaction
Protein-ligand binding prediction
Predict or reason about protein-ligand binding when the official source does not distinguish pose from affinity.
蛋白质-配体结合预测
Definition and search aliases
- Permanent ID
protein-ligand-binding-prediction- Aliases
- protein ligand binding, protein-small-molecule binding, ligand binding
- Deprecated aliases
- None
- Hierarchy
- Leaf task under Molecular interaction and binding
Coverage
1 benchmark families cover this task
Evidence-backed count claims
Each row keeps its original unit and basis. Rows with different units or overlapping mappings are never added.
| Benchmark | Mapped task | Coverage | Count | Version | Evidence |
|---|---|---|---|---|---|
| LifeSciBench root: lifescibench | Protein-ligand binding prediction official-taxonomy · high | explicitly-in-scope | Not reported Expert-authored benchmark tasks. | initial-release | lifescibench-evidence-taxonomy |
| ProteinGym root: proteingym | Protein-ligand binding prediction official-taxonomy · high | observed | Not reported DMS assays in the official generic Binding function category. | 1.3 | proteingym-evidence-taxonomy |
Official evaluations connected to these benchmarks
Runs are included only for benchmark records mapped here (and formal child tracks when a mapped suite is the root). A task mapping does not imply that every run isolates this task.
| Work | Provider / class | Related runs |
|---|---|---|
| ProteinGym: Large-Scale Benchmarks for Protein Fitness Prediction and Design | University of Oxford, Harvard Medical School, Seismic Therapeutic, Harvard University, Centre for Genomic Regulation, Universitat Pompeu Fabra, Broad Institute benchmark_creator | proteingym-v10-dms-substitutions-zero-shot |