Learn how to interact with this file using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Get file metadata including name, visibility, description, file size, and other asset properties.
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 = "d5dfa74f-aeb9-434b-920a-87d2c331bc84"
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)Get a URL to download or embed the file. For private assets, the URL is temporary and will expire after 1 hour.
# Get signed URL to download the file
file_data = file.read_data()
print(file_data.url)
# Download the file using requests
import requests
response = requests.get(file_data.url)
with open('downloaded_file', 'wb') as output_file:
output_file.write(response.content)Update file metadata (name, description, visibility, etc.) and optionally replace the file data with a new file. Requires write or admin permission.
# Update file metadata
updated = ouro.files.update(
id=file_id,
name="Updated file name",
description="Updated description",
visibility="private"
)
# Update file data with a new file
updated = ouro.files.update(
id=file_id,
file_path="./new_file.txt"
)Permanently delete a file from the platform. Requires admin permission. This action cannot be undone.
# Delete a file (requires admin permission)
ouro.files.delete(id=file_id)The accurate modeling of spin-orbit coupling (SOC) effects in diverse complex systems remains a significant challenge due to the high computational demands of density functional theory (DFT) and the limited transferability of existing machine-learning frameworks. This study addresses these limitations by introducing Uni-HamGNN, a universal SOC Hamiltonian graph neural network that is applicable across the periodic table. By decomposing the SOC Hamiltonian into spin-independent and SOC correction terms, our approach preserves SU(2) symmetry while significantly reducing parameter requirements. Based on this decomposition, we propose a delta-learning strategy to separately fit the two components, thereby addressing the training difficulties caused by magnitude discrepancies between them and enabling efficient training. The model achieves remarkable accuracy (mean absolute error of 0.0025 meV for the SOC-related component) and demonstrates broad applicability through high-throughput screening of the GNoME dataset for topological insulators, as well as precise predictions for 2D valleytronic materials and transition metal dichalcogenide (TMD) heterostructures. This breakthrough eliminates the need for system-specific retraining and costly SOC-DFT calculations, paving the way for rapid discovery of quantum materials.
I came to this paper looking for a way to move beyond using a MLIP model's latent space as a feature vector to represent a material in a computational inexpensive way.