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Hafnium49/crystal-embedder-quad

sourceHugging Facemitupdated 8mo agoView on Hugging Face

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App README

Crystal-Embedder-Quad

Computes eSEN + l-MM + l-OFM physics embeddings for crystal structures.

Returns named vectors compatible with the crystal-chroma-fusion Qdrant collection.

API

`POST /embed`

Request:

json

{"cif": "<CIF file content>"}

Response:

json

{
  "vectors": {
    "esen": [0.12, -0.34, ...],
    "l_mm": [0.56, 0.78, ...],
    "l_ofm": [0.11, -0.22, ...]
  },
  "dims": {"esen": 128, "l_mm": 758, "l_ofm": 188}
}

`GET /health`

Returns model loading status and vector dimensions.

Vectors

Vector	Dimensions	Distance	Model	Source
`esen`	128	Cosine	eSEN-MD-Direct (OC25)	facebook/OC25
`l_mm`	758	Euclid	l-MM_v1 (MEGNet)	MatterVial
`l_ofm`	188	Euclid	l-OFM_v1 (MEGNet)	MatterVial

Architecture

—eSEN: Backbone forward hook → node_embedding → l=0 scalar invariants → mean-pool → 128-dim
—l-MM: MatMiner-encoded MEGNet autoencoder latent → 758-dim
—l-OFM: OFM-encoded MEGNet autoencoder latent → 188-dim

All vectors are L2-normalized before returning.

Companion Service

Use alongside Crystal-Embedder-Orb (crystal-embedder-orb) which provides the orb (1792-dim) vector. Call both services in parallel, then merge vectors for a complete 4-vector Qdrant query.

Local Development

bash

docker build -t crystal-embedder-quad .
docker run -p 7860:7860 crystal-embedder-quad
curl http://localhost:7860/health