LatticeZero Documentation
Categorized guides, references, and validation resources for docking, scoring, target prep, and integration workflows.
Getting Started
Scoring
Docking
Target Preparation
Profiles & Optimization
API & CLI
Benchmarks & Validation
General
All Documentation
Every article is listed below and grouped by category.
Getting Started
2 articlesCreate your first project and score ligands in minutes.
First scoring job in under 10 minutes - step by step.
Scoring
4 articlesUltra-fast rescoring engine (~4,000 lig/sec).
Scoring function architecture, energy terms, and PQS.
Key terms, metrics, and definitions.
All 14 scoring terms explained with physical interpretation.
Docking
6 articlesCore molecular scoring tools.
Fast docking from SMILES - step by step guide.
GPU-accelerated molecular docking with auto-policy and conformer ensemble.
Advanced docking workspace with WebGPU-accelerated GA search and cascade re-scoring.
Production FFT pose-source mode (Cartesian), guardrails, and reproducibility.
Compound management with ADME properties and scatter plots.
Target Preparation
2 articles4-step receptor preparation pipeline.
Save and reuse receptor-ligand bundles.
Profiles & Optimization
5 articlesHow the profile optimizer works and when to use it.
Understand and customize scoring weight profiles.
Browse, compare, and manage scoring profiles.
FEP benchmark datasets for binding affinity validation.
Auto-tune scoring weights for your target.
API & CLI
2 articlesFast-reference for the most common API endpoints.
REST API endpoints and integration guide.
Benchmarks & Validation
6 articlesDEKOIS2 validation results with tie-corrected AUC.
Determinism guarantees, GPU variance, and versioning.
Preprint-quality technical overview with validated benchmark data.
Download replication kits and verify benchmarks independently.
DEKOIS2 benchmark demo and validation results.
Pre-validated target bundles ready to use.
General
11 articlesVisual overview of the end-to-end scoring and validation pipeline.
User guides and workflow documentation.
What LatticeZero scores mean and how to interpret them.
QuickDock vs IsoPose vs IsoScore - when to use each.
Generate custom scoring profiles without labeled data.
Citation guidance for publications using LatticeZero.
Honest assessment of current scoring limitations.
Frequently asked questions.
Common issues and solutions for the LatticeZero platform.
Data handling, encryption, and privacy architecture.
Enterprise security architecture, data handling, and compliance.