emmet

Official Resources

• Homepage: https://github.com/materialsproject/emmet
• Documentation: https://github.com/materialsproject/emmet
• Source Repository: https://github.com/materialsproject/emmet
• License: Modified BSD License

Overview

Emmet is the core library defining the data models and "Builders" for the Materials Project. It defines the schema for materials properties (e.g., MaterialDoc, TaskDoc) and contains the logic to aggregate raw calculation tasks into consolidated material documents.

Scientific domain: Materials data schema, database building
Target user community: Materials Project developers, users building MP-like databases

Capabilities (CRITICAL)

• Models: Pydantic models for VASP tasks, materials, diffraction patterns, etc.
• Builders: Maggma builders for processing tasks into materials (e.g., grouping relaxation and static runs).
• Validation: Ensures data integrity via schema validation.

Sources: Emmet GitHub

Inputs & Outputs

• Input formats: Task documents (from atomate/atomate2)
• Output data types: Material documents (JSON/BSON)

Interfaces & Ecosystem

• Maggma: Uses Maggma for building pipelines.
• Pymatgen: Uses Pymatgen objects.
• MP API: Serves data structured by Emmet.

Workflow and Usage

1. Parse VASP directory -> TaskDoc.
2. Emmet Builder aggregates TaskDocs -> MaterialDoc.
3. MaterialDoc is served via API.

Performance Characteristics

• The logic behind MP's data generation.

Application Areas

• Database construction
• Data standardization

Community and Support

• Materials Project Team

Verification & Sources

Primary sources:

1. GitHub: https://github.com/materialsproject/emmet

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Website: ACTIVE
• Documentation: AVAILABLE
• Source: OPEN (GitHub)
• Development: ACTIVE
• Applications: MP schema, data models