ALIGNN Predictor¶

Predict 50+ materials properties with ALIGNN graph neural networks. Query by JARVIS ID or upload POSCAR. Web prediction endpoint returns all available model predictions.

Open App

Overview¶

Predict 50+ materials properties with ALIGNN graph neural networks. Query by JARVIS ID or upload POSCAR. Web prediction endpoint returns all available model predictions.

Data Source

ALIGNN pretrained models

Endpoints¶

GET /alignn
GET /alignn/query
POST /alignn/query
POST /alignn/web_predict

Request Models: —

Authentication

All POST endpoints require Authorization: Bearer YOUR_TOKEN.

API Example¶

import requests

response = requests.post(
    "https://atomgpt.org/alignn/query",
    headers={
        "Authorization": "Bearer sk-XYZ",
        "accept": "application/json",
        "Content-Type": "application/json",
    },
    json={"jid": "JVASP-1002"},
)
data = response.json()
print(data)

AGAPI Agent¶

from agapi.agents import AGAPIAgent
import os

agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show alignn predictor for Silicon")
print(response)

Reference¶

NPJ Comp. Mat. 7, 1 (2021)