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 = "5449165b-aa72-4dfd-98a7-96b16a801aa2"
# 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)An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized invertible representation that encodes crystals in both real and reciprocal space, and a property-structured latent space from a variational autoencoder (VAE).
https://arxiv.org/abs/2005.07609
January '25 Reading List
postM3GNet 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