metadata
license: apache-2.0
tags:
- materials-science
- deep-learning
- crystal-structure
- chemistry
🔬 MatGraph CLI
A modern CLI and GraphQL API tool for Material Science Deep Learning Pipelines.
Powered by M3GNet Universal Potentials
This repository contains the Gradio Space logic and documentation for matgraph-cli.
🚀 Installation
pip install matgraph-cli
🛠 Features
- Predict Thermodynamic Stability (M3GNet)
- Structural Relaxation & Geometry Optimization (ASE)
- Generative Discovery via Elemental Substitution
- X-Ray Diffraction (XRD) Simulation
- Phonon Density of States (DOS)
- High-Performance GraphQL Server