Golden Packs
Golden Packs are pre-validated target bundles that include everything you need to start scoring: a prepared receptor grid, validated scoring profile, reference actives and decoys, and published benchmark results. They're the fastest way to get production-ready scoring on well-studied targets.
What's in a Golden Pack?
Each Golden Pack contains:
| Component | Description |
|---|---|
| Compiled Grid | Pre-computed scoring grid ready for IsoDock/IsoScore |
| Scoring Profile | Optimized weights validated against DEKOIS2 |
| Reference Actives | Known active compounds (SDF with 3D poses) |
| Reference Decoys | Matched decoys from DEKOIS2 |
| Benchmark Report | AUC, enrichment factors, ROC curve, score distributions |
| Manifest | Metadata including target class, tier, validation stats |
Available Golden Packs
ACE Platinum Pack
| Property | Value |
|---|---|
| Target | Angiotensin-converting enzyme |
| PDB | 1O86 |
| Class | Metalloprotease |
| AUC | 0.95 |
| Tier | Platinum |
| Actives | 40 |
| Decoys | 1,200 |
ACE is a zinc metalloprotease critical in blood pressure regulation. The Platinum profile leverages metal coordination scoring and electrostatic complementarity.
Key profile features: Strong E_coul weight (0.22), metal coordination emphasis (0.18), moderate burial contribution.
MDM2 Gold Pack
| Property | Value |
|---|---|
| Target | Mouse double minute 2 homolog |
| PDB | 4HG7 |
| Class | Protein-protein interaction (PPI) |
| AUC | 0.85 |
| Tier | Gold |
| Actives | 78 |
| Decoys | 2,340 |
MDM2 is a key PPI target in oncology (p53-MDM2 interaction). The pocket is shallow and hydrophobic, requiring emphasis on shape complementarity and aromatic stacking.
Key profile features: High aromaticBurial weight, depth scoring, moderate dispersion.
CDK2 Silver Pack
| Property | Value |
|---|---|
| Target | Cyclin-dependent kinase 2 |
| PDB | 1AQ1 |
| Class | Kinase |
| AUC | 0.72 |
| Tier | Silver |
| Actives | 219 |
| Decoys | 6,570 |
CDK2 is a well-studied kinase target. The Silver tier indicates moderate but useful discrimination, suitable for initial screening with additional validation recommended.
HSP90 Silver Pack
| Property | Value |
|---|---|
| Target | Heat shock protein 90 |
| PDB | 2WI7 |
| Class | Chaperone |
| AUC | 0.68 |
| Tier | Silver |
| Actives | 88 |
| Decoys | 2,640 |
HSP90 is a molecular chaperone with a deep ATP-binding pocket. The Silver profile captures the key hydrogen bonding patterns in the pocket.
Using Golden Packs
Loading a Pack
- Go to Golden Packs in the sidebar
- Browse available packs by target or tier
- Click Load Pack to add it to your project
- The target, profile, and reference compounds are imported automatically
Scoring with a Golden Pack
Once loaded, the pack's target and profile are ready to use:
- Go to Workbench > IsoScore (or IsoDock)
- Select the Golden Pack target
- Upload your own ligands
- The optimized profile is automatically selected
- Click Run
Validating the Pack
To verify the pack works on your system:
- After loading, click Run Benchmark
- This scores the included reference actives and decoys
- Compare your AUC to the published value
- Results should match within +/- 0.02 AUC
Tip: Running the benchmark on your system is a good way to verify WebGPU performance and confirm everything is configured correctly.
Requesting New Packs
We're continuously expanding the Golden Packs library. Currently planned:
- EGFR Kinase — in optimization pipeline
- P38a Kinase — in optimization pipeline
- HIVRT — Platinum profile available, pack assembly in progress
If you need a pack for a specific target, contact us at support@latticezero.com.
Building Your Own "Golden Pack"
While official Golden Packs are curated and validated, you can create your own validated bundles:
- Prepare your target using Target Prep
- Optimize a profile using the Optimizer with your known actives/decoys
- Validate by running the benchmark and checking AUC
- Save the target, profile, and reference compounds as a project
This is especially useful for proprietary targets where no official pack exists.
Next Steps
- Scoring Profiles — Understand how profile weights affect scoring
- Demo & Benchmarks — Try targets interactively before loading packs
- Optimizer — Create optimized profiles for your own targets