Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
https://github.com/amorehead/Equivariant-GNNs
An environment for running experiments with equivariant GNN architectures
equivariant-network neural-networks
Last synced: 03 Jul 2024
https://github.com/mzjb/xDeepH
Extended DeepH (xDeepH) method for magnetic materials.
ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian physics pytorch
Last synced: 12 Jun 2024
https://github.com/octavian-ganea/equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
deeplearning docking drug-discovery drugdiscovery equivariance equivariant-network equivariant-representations geometry graphneuralnetwork protein-protein-interaction proteins
Last synced: 07 Jun 2024
https://github.com/mzjb/DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian julia physics pytorch
Last synced: 08 Apr 2024
https://github.com/QUVA-Lab/e2cnn
E(2)-Equivariant CNNs Library for Pytorch
cnns equivariance equivariant-network group-convolution pytorch
Last synced: 24 Mar 2024
