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mattergraph-api

FastAPI demo service for MatterGraph.

This is a demonstration surface, not a production service: storage is an in-memory store loaded from a JSONL fixture, and the persistence layer under mattergraph_api/db/ is a placeholder for installations that need one.

Routes

Route Purpose
GET /health Liveness
GET /materials, GET /materials/{mid} Browse normalized records
GET /search?element= Filter by element
POST /scores/rank Rank candidates with objectives, constraints, and weights
POST /simulations/ase/relax Run an ASE relaxation (503 if ase is unavailable)
GET /workflows/lematerial/demo End-to-end LeMat-Bulk screening walkthrough

Install and run

pip install mattergraph-api
uvicorn mattergraph_api.main:app --host 0.0.0.0 --port 8000

The default API uses the packaged, checksummed 24-record LeMaterial example. Set MATTERGRAPH_DEMO_DATA only when intentionally replacing it with a custom JSONL store.

License

Apache-2.0

Metadata

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