Digital Twin Complete Guide

Step-by-step tutorial for working with Protein Digital Twins

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Table of Contents

🚀 Getting Started

Welcome to the Protein Digital Twin platform! This guide will walk you through everything you need to know to create, manage, and extract insights from your protein digital twins.

Prerequisites

  • •
    Protein Structure: PDB file, PDB ID, or amino acid sequence
  • •
    API Access: Valid API key (free tier available)
  • •
    Optional: Experimental data (X-ray, NMR, biochemical assays)
  • •
    For VR: WebXR-compatible browser or VR headset

Installation

Install the Python client library:

pip install protein-digital-twin

Or use the REST API directly:

curl -X POST https://api.quantum-proteins.ai/digital-twin/create \
  -H "Authorization: Bearer YOUR_API_KEY" \
  -d '{"pdb_id": "1LYZ"}'

Quick Start Example

from protein_digital_twin import DigitalTwin

# Create a digital twin
twin = DigitalTwin.create(
    protein_name="Lysozyme",
    pdb_id="1LYZ"
)

# Run a simulation
result = twin.simulate(
    simulation_type="MD",
    duration_ns=100
)

# Get AI predictions
predictions = twin.predict_mutations(
    positions=[35, 52, 101]
)

print(f"Twin created: {twin.id}")
print(f"Simulation RMSD: {result.rmsd}")
print(f"Best mutation: {predictions.top_variant}")
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