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ORB forcefield models from Orbital Materials

Python 599 88 Updated Jun 12, 2026

Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.

Jupyter Notebook 44 7 Updated Jun 7, 2021

A Graph Neural Network Library in Jax

Python 1,471 106 Updated Mar 18, 2024

Flax is a neural network library for JAX that is designed for flexibility.

Jupyter Notebook 7,239 818 Updated Jun 17, 2026