Topic: equivariant-graph-neural-network Goto Github
Some thing interesting about equivariant-graph-neural-network
Some thing interesting about equivariant-graph-neural-network
equivariant-graph-neural-network,[ArXiv'24] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Organization: atomicarchitects
Home Page: https://arxiv.org/abs/2403.09549
equivariant-graph-neural-network,[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Organization: atomicarchitects
Home Page: https://arxiv.org/abs/2206.11990
equivariant-graph-neural-network,[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Organization: atomicarchitects
Home Page: https://arxiv.org/abs/2306.12059
equivariant-graph-neural-network,OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion
User: frcnt
Home Page: https://doi.org/10.1039/D4DD00099D
equivariant-graph-neural-network,Employing Molecular Conformations for Ligand-based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning
User: gu-yaowen
equivariant-graph-neural-network,E(3)-Equivariant Mesh Neural Networks (AISTATS 2024)
Organization: hysonlab
Home Page: https://proceedings.mlr.press/v238/anh-trang24a/anh-trang24a.pdf
equivariant-graph-neural-network,Implementation of Geometrically Equivariant Graph Neural Networks (GNNs) in PyTorch.
User: kthrn22
equivariant-graph-neural-network,Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
User: ldeng0205
Home Page: https://arxiv.org/abs/2402.18396
equivariant-graph-neural-network,Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
User: nguyen-group
Home Page: https://arxiv.org/abs/2406.16654
equivariant-graph-neural-network,MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
Organization: wengroup
Home Page: https://doi.org/10.1039/D3DD00233K
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