Client for interacting with AIONICS APIs
Project description
apyonics
Client for interacting with AIONICS APIs
usage instructions
import the package:
import apyonics
start a client:
client = apyonics.Client(service_url="https://your.service.url",api_key="your-api-key")
get feature set for a training set compound by formula:
feats = client.get_trainingset_features('Li2Ge7O15')
get conductivity of a training set compound by formula:
feats = client.get_trainingset_conductivity('Li2Ge7O15')
get feature set for a candidate compound by Materials Project id:
feats = client.get_candidate_features('mp-1153')
get conductivity of a candidate compound by Materials Project id:
feats = client.get_candidate_conductivity('mp-1153')
get superionic likelihood for a POSCAR file:
feats = client.predict_from_poscar('/path/to/your/POSCAR')
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