Boltz-1 Structure Prediction Benchmark

Evaluation suite accompanying Boltz-1 for full biomolecular complex prediction, comparing against AlphaFold 3 baseline on CASP-style metrics.

Composite
94.4
Experimental validation
Retrospective
Stages
Hit ID
Modalities
biologicsmall-molecule
Task types
structure-predictioncomplex-prediction
Size
complexes: 3,890
License
MIT
First release
2024-11
Last updated
2026-02
Official site
→ project page
Leaderboard
→ leaderboard
Dataset
→ dataset
Code / GitHub
→ repository
HuggingFace
→ HF
Paper
Boltz-1: Democratizing biomolecular interaction modeling · Passaro S, Corso G, et al. · 2024 · paper · doi:10.1101/2024.11.19.624167 · 120 citations
Flags
none
Experts
Groups
MIT CSAIL / Jameel Clinic / Coley Lab
Hosted by
Related benchmarks
CASP16, PLINDER, PoseBusters

Rubric (7-criterion)

rigor
5
coverage
4
maintenance
5
adoption
5
quality
5
accessibility
5
industry_relevance
4

Notes

Open-source companion to commercial structure predictors; benchmark splits audited against AlphaFold 3 leakage.

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