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<!DOCTYPE html>
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<head>
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    <title>MatGraph CLI | Trinetra Labs</title>
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<body>

    <h1>🔬 MatGraph CLI</h1>
    <div class="subtitle">A modern CLI and GraphQL API tool for Material Science Deep Learning Pipelines, powered by Trinetra Labs.</div>

    <p>MatGraph CLI replaces the outdated, bloated ML implementations in materials science with a sleek, universal interface. It natively wraps the state-of-the-art <strong>M3GNet Universal Potentials</strong> developed by the Materials Virtual Lab.</p>
    
    <a href="https://pypi.org/project/matgraph-cli/" class="btn" target="_blank">View on PyPI</a>
    <a href="https://github.com/Himan-D/matgraph-cli" class="btn btn-github" target="_blank">GitHub Repository</a>

    <h2>🚀 Quick Start</h2>
    <p>Install via pip and set up your Materials Project API key in seconds:</p>
    <div class="code-block">
        pip install matgraph-cli<br><br>
        # Persistently save your API key (No more 'export' commands!)<br>
        matgraph setup YOUR_MP_API_KEY
    </div>

    <h2>✨ Key Features</h2>
    <ul class="feature-list">
        <li><strong>Thermodynamic Stability:</strong> Instantly predict Formation Energy and Band Gaps.</li>
        <li><strong>Structural Relaxation:</strong> Perform ASE Geometry Optimization using M3GNet.</li>
        <li><strong>Generative Discovery:</strong> Simulate elemental substitution (e.g., swapping Li for Na in LiFePO4) to discover stable alternatives.</li>
        <li><strong>X-Ray Diffraction:</strong> Simulate accurate Cu-Ka XRD patterns.</li>
        <li><strong>Phonon DOS:</strong> Fetch exact Phonon Density of States for thermodynamic properties.</li>
        <li><strong>Blazing Fast:</strong> Zero-config SQLite local caching and highly optimized lazy loading.</li>
    </ul>

    <h2>💻 Example Usage</h2>
    <p>Predict the properties of a material using the CLI:</p>
    <div class="code-block">
        matgraph predict LiFePO4 --model m3gnet
    </div>
    
    <p>Or perform generative elemental substitution (Inverse Design):</p>
    <div class="code-block">
        matgraph substitute LiFePO4 Li Na
    </div>

    <footer>
        &copy; 2026 Trinetra Labs. All rights reserved.<br>
        Built with ❤️ for the Material Science community.
    </footer>

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