🚀

Getting Started

Create your first project and score ligands in minutes.

🧪

Tools

Core molecular scoring tools.

IsoDock

GPU-accelerated molecular docking (~3s/ligand).

IsoScore

Ultra-fast rescoring engine (~4,000 lig/sec).

Target Prep

4-step receptor preparation pipeline.

🎯

Scoring Profiles

Understand and customize scoring weight profiles.

📊

Demo & Benchmarks

DEKOIS2 benchmark demo and validation results.

📦

Golden Packs

Pre-validated target bundles ready to use.

🔧

Optimizer

Auto-tune scoring weights for your target.

💻

API Reference

REST API endpoints and integration guide.

📖

Glossary

Key terms, metrics, and definitions.

⚛

Physics Reference

All 14 scoring terms explained with physical interpretation.

❓

FAQ

Frequently asked questions.