Reproduce Our Results
We don't ask you to trust us - we give you the tools to verify.
Every benchmark target in the Demo Gallery includes a full replication kit that you can download and use to independently reproduce our published AUC numbers.
What's in a Replication Kit?
Each kit is a ZIP file containing:
| File | Description |
|---|---|
receptor.pdb |
The prepared receptor structure used for scoring |
scores.csv |
Pre-computed scores with activity labels |
pdb_code.txt |
PDB ID of the source crystal structure |
execution_log.txt |
Full metadata: target ID, profile, scoring mode, timestamps |
Step-by-Step Verification
Method 1: Using IsoScore (Browser)
- Go to the Demo Gallery and choose any target
- Click Download Raw Data to get the replication kit ZIP
- Extract the ZIP and note the receptor PDB and ligands
- Go to IsoScore
- Upload the receptor PDB and ligands SDF from the kit
- Select Standard tier and click Score Poses
- Compare your AUC to the published number on the demo page
Method 2: Using the CLI
# Download the kit for a target (e.g., ACE)
curl -O https://app.latticezero.com/demo/run/replication/ace
# Extract
unzip ace_replication_kit.zip -d ace_kit/
# Score using lz-score
lz-score --receptor ace_kit/receptor.pdb \
--ligands ace_kit/ligands.sdf \
--emit-terms \
--output scored.csv
# Compute AUC using the activity labels
python3 -c "
import csv
scores = []
with open('scored.csv') as f:
for row in csv.DictReader(f):
scores.append((float(row['score']), row.get('is_active', '0') == '1'))
# Sort by score (lower is better)
scores.sort(key=lambda x: x[0])
# Compute AUC...
"
Available Targets
All 18 DEKOIS2 targets in the Demo Gallery have replication kits:
ACE, MDM2, A2A, AmpC, BACE1, CDK2, EGFR, ESR1, FXa, GBA, HDAC2, HSP90, MCL1, P38A, PARP1, PDE5, Thrombin, UROK
Why This Matters
In computational chemistry, reproducibility is everything. By providing full input bundles with every benchmark:
- You can verify our AUC claims on your own hardware
- You can compare LatticeZero's scoring to your existing tools (Glide, Vina, GOLD)
- You can audit the quality of our decoy sets and activity labels
- You can build trust in the platform before committing proprietary compounds
As one evaluator put it: "If a vendor gives me everything I need to prove them wrong, they probably aren't wrong."