Pinned Repositories
QMOF
The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
api
New API client for the Materials Project
DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
Image-Destriping
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
DeepH-E3
GANN
Multiscale Graph Attention Neural Networks for Mapping Materials and Molecules
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