GitHub - LLNL/graphite: A repository for implementing …
https://github.com/LLNL/graphite
How to use. graphite is intended to be a general collection of codes (e.g., helper functions, custom graph convolutions, and template graph models) for research purposes. Production codes for certain applications and deployments should be hosted elsewhere. The src folder contains the source … See more Spectroscopy-guided amorphous material generation This animation shows unconditional generation of amorphous carbons. Colo… Score dynamics •ALIGNN •Atomistic Line Graph Neural Network for improved materials property predictions •ALIGNN-d (our work, see demo) The installation time is typically less than 10 minutes on a normal local machine. Installation dependencies: •PyTorch (pytorch>=1.8.1)
Spectroscopy-guided amorphous material generation
This animation shows unconditional generation of amorphous carbons. Colo…
Score dynamics
•ALIGNN
•Atomistic Line Graph Neural Network for improved materials property predictions
•ALIGNN-d (our work, see demo)
The installation time is typically less than 10 minutes on a normal local machine.
Installation dependencies:
•PyTorch (pytorch>=1.8.1)
DA: 19 PA: 27 MOZ Rank: 32