Python SDK requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
file_id = "31bc8f4d-0e5a-45d3-94de-5f5c11fef14d"
# Retrieve file metadata and signed URL
f = ouro.files.retrieve(file_id)
print(f.name, f.visibility)
data = f.read_data() # fetches signed URL
print(data.url)A Universal Graph Deep Learning Interatomic Potential for the Periodic Table
Here, we report a universal IAP for materials based on graph neural networks with three-body interactions (M3GNet). The M3GNet IAP was trained on the massive database of structural relaxations performed by the Materials Project over the past 10 years and has broad applications in structural relaxation, dynamic simulations and property prediction of materials across diverse chemical spaces.
Chi Chen & Shyue Ping Ong
https://www.nature.com/articles/s43588-022-00349-3
Preprint version from arXiv
M3GNet seems like a pretty popular MLIP model. Depending on the pipeline we build out, we may want to increase throughput with a model that can help us with MD and electronics predictions.
10mo