| 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 | |
| ```bash | |
| 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 | |
| ## 🔗 Links | |
| - [GitHub Repository](https://github.com/Himan-D/matgraph-cli) | |
| - [PyPI Package](https://pypi.org/project/matgraph-cli/) | |