{
 "schema_version": 1,
 "generated": "2026-10-31",
 "repo": "jwohlwend/boltz",
 "name": "boltz",
 "owner": "jwohlwend",
 "slug": "jwohlwend-boltz",
 "github": "https://github.com/jwohlwend/boltz",
 "what": "Boltz is a family of open models for biomolecular interaction prediction. Boltz-1 was the first fully open source model to approach AlphaFold3 accuracy, and Boltz-2 jointly models complex structures and binding affinities, approaching the accuracy of physics-based free-energy perturbation (FEP) methods while running about 1000x faster. Code and weights are MIT licensed for academic and commercial use, and the boltz command runs predictions from YAML input files.",
 "why": "4.3k stars, talked about in 2 AI sources we track",
 "language": "Python",
 "requirements": [
  "Python in a fresh environment and pip",
  "An NVIDIA GPU for the [cuda] install; CPU-only works but is significantly slower",
  "Input YAML files describing the biomolecules (format in docs/prediction.md)",
  "Network access for the optional MSA server (--use_msa_server)"
 ],
 "audience_note": "Computational biologists, structural biologists and drug discovery teams who want open structure and binding affinity predictions they can run themselves.",
 "risk": "none",
 "section": "earlier",
 "weekly_rank": null,
 "category": "Security and science",
 "url": "https://dedupedai.com/use-cases/jwohlwend-boltz/",
 "use_case_count": 3,
 "use_cases": [
  {
   "id": "jwohlwend-boltz--predict-a-protein-complex-structure-with-boltz",
   "title": "Predict a protein complex structure with Boltz",
   "best": true,
   "url": "https://dedupedai.com/use-cases/jwohlwend-boltz/predict-a-protein-complex-structure-with-boltz/",
   "json": "https://dedupedai.com/use-cases/u/jwohlwend-boltz/predict-a-protein-complex-structure-with-boltz.json"
  },
  {
   "id": "jwohlwend-boltz--screen-ligands-for-binders-with-boltz-affinity",
   "title": "Screen small molecules for likely binders",
   "best": false,
   "url": "https://dedupedai.com/use-cases/jwohlwend-boltz/screen-ligands-for-binders-with-boltz-affinity/",
   "json": "https://dedupedai.com/use-cases/u/jwohlwend-boltz/screen-ligands-for-binders-with-boltz-affinity.json"
  },
  {
   "id": "jwohlwend-boltz--compare-ligand-modifications-with-boltz",
   "title": "Compare small changes to a lead molecule",
   "best": false,
   "url": "https://dedupedai.com/use-cases/jwohlwend-boltz/compare-ligand-modifications-with-boltz/",
   "json": "https://dedupedai.com/use-cases/u/jwohlwend-boltz/compare-ligand-modifications-with-boltz.json"
  }
 ],
 "disclaimer": "Third-party repos we don't own or vouch for. AI-generated use cases can be wrong: review everything and run at your own risk."
}