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
1 maintainer
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release.yml on cyrusmo/MatterGraph
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