geometric-deep-learning topic
diffusion-hopping
DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
doc2graph
Doc2Graph transforms documents into graphs and exploit a GNN to solve several tasks.
PeSTo
Geometric deep learning method to predict protein binding interfaces from a protein structure.
geometric-rna-design
gRNAde: Geometric Deep Learning for 3D RNA inverse design
GraphOOD-GNNSafe
The official implementation for ICLR23 paper "GNNSafe: Energy-based Out-of-Distribution Detection for Graph Neural Networks"
Specformer
Transformer-based Spectral Graph Neural Networks
sphericart
Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
Laplacian2Mesh
Laplacian2Mesh: Laplacian-Based Mesh Understanding