Official Resources
- Homepage: https://materialsproject.org/
- Source Repository: https://github.com/materialsproject
- Documentation: https://next-gen.materialsproject.org/
- License: MIT / Creative Commons
Overview
Status: ℹ️ PLATFORM / ECOSYSTEM
"MaterialsProject-ML" refers to the machine learning ecosystem provided by The Materials Project. It is not a single downloadable tool but a collection of libraries, models, and APIs designed for materials informatics and structure screening.
Key components include:
- MEGNet: Graph Networks for Materials Chemistry.
- M3GNet: Universal Interatomic Potential for materials.
- Matminer: Data mining library for materials.
- Pymatgen: Core analysis library.
Capabilities
- Structure Prediction: M3GNet can relax structures and predict stability (formation energy).
- Screening: Filter millions of candidate structures using pre-trained models.
- Property Prediction: Band gap, modulus, etc.
Verification & Sources