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Projects in Awesome Lists tagged with geometric-deep-learning

A curated list of projects in awesome lists tagged with geometric-deep-learning .

https://github.com/lightaime/deep_gcns_torch

Pytorch Repo for DeepGCNs (ICCV'2019 Oral, TPAMI'2021), DeeperGCN (arXiv'2020) and GNN1000(ICML'2021): https://www.deepgcns.org

3d-point-clouds bioinformatics cheminformatics computer-vision data-mining deep-gcns deep-learning geometric-deep-learning graph-convolutional-networks graph-neural-networks pytorch science-research social-network

Last synced: 16 May 2025

https://github.com/rusty1s/pytorch_cluster

PyTorch Extension Library of Optimized Graph Cluster Algorithms

cluster-algorithms geometric-deep-learning graph-neural-networks pytorch

Last synced: 14 May 2025

https://github.com/awslabs/dgl-lifesci

Python package for graph neural networks in chemistry and biology

bioinformatics cheminformatics deep-learning dgl drug-discovery geometric-deep-learning graph-neural-networks molecule

Last synced: 15 May 2025

https://github.com/lightaime/deep_gcns

Tensorflow Repo for "DeepGCNs: Can GCNs Go as Deep as CNNs?" ICCV2019 Oral https://www.deepgcns.org

3d-point-clouds deep-gcns geometric-deep-learning graph-neural-networks

Last synced: 03 May 2025

https://github.com/EdisonLeeeee/GraphGallery

GraphGallery is a gallery for benchmarking Graph Neural Networks, From InplusLab.

adversarial-machine-learning dgl geometric-deep-learning graph graph-neural-networks graphgallery models pyg pytorch

Last synced: 01 May 2025

https://github.com/chaitjo/geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

e3nn equivariance equivariant-networks geometric-deep-learning geometric-graphs graph-isomorphism graph-neural-networks pytorch pytorch-geometric

Last synced: 05 Apr 2025

https://github.com/quva-lab/escnn

Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/

deep-learning equivariance geometric-deep-learning geometry invariant isometries pytorch rotations symmetries

Last synced: 16 May 2025

https://github.com/microsoft/ptgnn

A PyTorch Graph Neural Network Library

deep-learning geometric-deep-learning gnn graph-neural-networks pytorch

Last synced: 04 Apr 2025

https://github.com/QUVA-Lab/escnn

Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/

deep-learning equivariance geometric-deep-learning geometry invariant isometries pytorch rotations symmetries

Last synced: 04 May 2025

https://github.com/quiver-team/torch-quiver

PyTorch Library for Low-Latency, High-Throughput Graph Learning on GPUs.

distributed-computing geometric-deep-learning gpu-acceleration graph-learning graph-neural-networks pytorch

Last synced: 04 Apr 2025

https://github.com/mims-harvard/txgnn

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

drug-design drug-discovery geometric-deep-learning graph-neural-networks indications-and-warning knowledge-graph precision-medicine therapeutics

Last synced: 10 Oct 2025

https://github.com/rusty1s/pytorch_spline_conv

Implementation of the Spline-Based Convolution Operator of SplineCNN in PyTorch

geometric-deep-learning graph-neural-networks pytorch spline-cnn

Last synced: 14 May 2025

https://github.com/alibaba/curvature-learning-framework

Curvlearn, a Tensorflow based non-Euclidean deep learning framework.

geometric-deep-learning hyperbolic non-euclidean-deep-learning tensorflow

Last synced: 14 Oct 2025

https://github.com/lightaime/sgas

SGAS: Sequential Greedy Architecture Search (CVPR'2020) https://www.deepgcns.org/auto/sgas

3d-point-clouds automl bioinformatics computer-vision deep-gcns geometric-deep-learning graph-neural-networks neural-architecture-search

Last synced: 03 May 2025

https://github.com/alibaba/Curvature-Learning-Framework

Curvlearn, a Tensorflow based non-Euclidean deep learning framework.

geometric-deep-learning hyperbolic non-euclidean-deep-learning tensorflow

Last synced: 09 May 2025

https://github.com/shchur/overlapping-community-detection

Implementation of "Overlapping Community Detection with Graph Neural Networks"

community-detection geometric-deep-learning graph-neural-networks overlapping-community-detection pytorch

Last synced: 22 Aug 2025

https://github.com/mengliu1998/deepergnn

Official PyTorch implementation of "Towards Deeper Graph Neural Networks" [KDD2020]

geometric-deep-learning graph-neural-networks node-classification semi-supervised-learning

Last synced: 27 Apr 2025

https://github.com/PKU-DAIR/SGL

A scalable graph learning toolkit for extremely large graph datasets. (WWW'22, 🏆 Best Student Paper Award)

deep-learning geometric-deep-learning graph-neural-networks network-embedding neural-architecture-search pytorch scalable-graph-learning

Last synced: 21 Jul 2025

https://github.com/rubenwiersma/deltaconv

Code for the SIGGRAPH 2022 paper "DeltaConv: Anisotropic Operators for Geometric Deep Learning on Point Clouds."

differential-geometry geometric-deep-learning graph-learning point-cloud point-cloud-classification point-cloud-segmentation pytorch

Last synced: 07 Oct 2025

https://github.com/LBM-EPFL/PeSTo

Geometric deep learning method to predict protein binding interfaces from a protein structure.

deep-learning geometric-deep-learning protein-binding-site protein-protein-interface protein-structure pytorch

Last synced: 01 May 2025

https://github.com/lab-cosmo/sphericart

Multi-language library for the calculation of spherical harmonics in Cartesian coordinates

geometric-deep-learning python pytorch spherical-harmonics

Last synced: 17 Feb 2026

https://github.com/jiangzhongshi/surfacenetworks

Source code for CVPR 2018 Oral paper "Surface Networks"

cvpr2018 geometric-deep-learning graph-neural-networks

Last synced: 18 Sep 2025

https://github.com/rubenwiersma/hsn

Code for SIGGRAPH paper CNNs on Surfaces using Rotation-Equivariant Features

3d convolutional-neural-networks geometric-deep-learning pytorch pytorch-geometric siggraph

Last synced: 11 Aug 2025

https://github.com/lucidrains/vn-transformer

A Transformer made of Rotation-equivariant Attention using Vector Neurons

artificial-intelligence attention-mechanism deep-learning geometric-deep-learning transformers

Last synced: 22 Aug 2025

https://github.com/rusty1s/himp-gnn

Hierarchical Inter-Message Passing for Learning on Molecular Graphs

geometric-deep-learning graph-neural-networks graph-pooling junction-tree molecular-graph pytorch

Last synced: 30 Apr 2025

https://github.com/zaixizhang/FLAG

Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"

drug-discovery generative-ai geometric-deep-learning protein-ligand-interactions

Last synced: 14 May 2026

https://github.com/zetayue/MXMNet

Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"

computational-biology deep-learning drug-discovery geometric-deep-learning graph-neural-networks machine-learning

Last synced: 21 Jul 2025

https://github.com/XuyangBai/KPConv.pytorch

PyTorch reimplementation for "KPConv: Flexible and Deformable Convolution for Point Clouds" https://arxiv.org/abs/1904.08889

3d-point-clouds geometric-deep-learning kpconv pytorch

Last synced: 20 Mar 2025

https://github.com/lsj2408/gaunt-tensor-product

[ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products"

equivariant-network euclidean-group fft geometric-deep-learning tensor-product

Last synced: 13 Oct 2025

https://github.com/kleinyuan/rggnet

[RA-L 2020] Official Tensorflow Implementation for "RGGNet: Tolerance Aware LiDAR-Camera Online Calibration with Geometric Deep Learning and Generative Model", IEEE Robotics and Automation Letters 5.4 (2020): 6956-6963

autonomous-driving geometric-deep-learning lidar-camera-calibration

Last synced: 08 May 2025

https://github.com/minkaixu/egno

ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

dynamic-simulations geometric-deep-learning graph-neural-networks molecular-dynamics neural-operator

Last synced: 11 Jul 2025

https://github.com/passionlab/openequivariance

OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

cuda equivariance geometric-deep-learning graph-neural-networks sparse-tensors

Last synced: 16 Jan 2026

https://github.com/sophiaas/spectral-universality

Official PyTorch and JAX Implementation of "Harmonics of Learning: Universal Fourier Features Emerge in Invariant Networks"

fourier geometric-deep-learning group-theory invariance

Last synced: 03 Mar 2026

https://github.com/andreasmazur/geoconv

A Python library for end-to-end learning on surfaces. It implements pre-processing functions that include geodesic algorithms, neural network layers that operate on surfaces, visualization tools and benchmarking functionalities.

benchmarking convolutional-neural-networks deep-learning deep-neural-networks geodesic-algorithm geometric-deep-learning geometry-processing keras machine-learning neural-network neural-networks tensorflow visualization

Last synced: 26 Jul 2025

https://github.com/alexoarga/haiku-geometric

A collection of graph neural networks implementations in JAX

deep-learning geometric-deep-learning graph-neural-networks jax machine-learning python

Last synced: 16 Oct 2025

https://github.com/zaixizhang/DrugGPS_ICML23

Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

drug-discovery generalization generative-model geometric-deep-learning

Last synced: 14 May 2026

https://github.com/changkun/gp

🏭 Geometry Processing at LMU Munich

geometric-deep-learning geometry-processing lmu-munich

Last synced: 21 Apr 2025

https://github.com/Sentinal4D/cellshape

3D shape analysis using deep learning

cancer-biology cell-biology deep-learning geometric-deep-learning

Last synced: 07 May 2025

https://github.com/LigandPro/Matcha

Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.

alphafold3 computational-chemistry docking drug-design drug-discovery flowmatching geometric-deep-learning gnina ml molecular-docking posebusters protein-ligand pytorch rdkit

Last synced: 06 Jul 2026

https://github.com/chaitjo/learning-paradigms-for-tsp

Code for the paper 'On Learning Paradigms for the Travelling Salesman Problem' (NeurIPS 2019 Graph Representation Learning Workshop)

combinatorial-optimization deep-learning geometric-deep-learning graph-neural-networks pytorch travelling-salesman-problem

Last synced: 01 Apr 2025

https://github.com/wzjoriv/Lign

Lign (/lignÉ™/): Extension to PyTorch for graphs and geometric deep learning

gcn geometric-deep-learning graph-theory neural-networks pytorch

Last synced: 12 Jul 2025

https://github.com/brian-hepler-phd/spherical-cnn

Interactive exploration of equivariant neural networks on homogeneous spaces, with a focus on the sphere S² as SO(3)/SO(2). From Lecture 8 of the Lie groups course with Quantum Formalism

e3nn equivariant-neural-networks geometric-deep-learning homogeneous-spaces lie-groups machine-learning pytorch representation-theory scientific-computing spherical-cnn

Last synced: 02 Aug 2025

https://github.com/graph-com/lri

[ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.

deep-learning geometric-deep-learning graph-neural-networks interpretability interpretable-machine-learning pytorch xai

Last synced: 27 Jul 2025

https://github.com/innerlee/gcr

Official repository for ICCV 2023: Get the Best of Both Worlds: Improving Accuracy and Transferability by Grassmann Class

classification geometric-deep-learning grassmann-manifold iccv2023 transfer-learning

Last synced: 12 Apr 2025

https://github.com/graph-com/hept

[ICML'24 Oral] LSH-Based Efficient Point Transformer (HEPT)

ai4science geometric-deep-learning hep-ex point-cloud pytorch transformer

Last synced: 27 Jul 2025

https://github.com/aidos-lab/neural-k-forms

Simplicial Representation Learning with Neural k-Forms

geometric-deep-learning iclr2024 topological-data-analysis topological-deep-learning

Last synced: 20 Jul 2025

https://github.com/lirongwu/dcv

Code for TNNLS paper "Deep Clustering and Visualization for End-to-End High Dimensional Data analysis"

clustering geometric-deep-learning high-dimensional-data manifold-learning visualization

Last synced: 13 Apr 2025

https://github.com/sophiaas/gtc-invariance

Official PyTorch Implementation of "A General Framework for Robust G-Invariance in G-Equivariant Networks," NeurIPS 2023

bispectrum convolutional-neural-networks deep-learning equivariance geometric-deep-learning group-theory invariance

Last synced: 23 Sep 2025

https://github.com/aidos-lab/rings

Relevant Information in Node features and Graph Structure

data-centric evaluation-framework geometric-deep-learning graph-learning icml-2025

Last synced: 05 Feb 2026

https://github.com/lfkrapp/kitchenware

A Python toolkit for processing and analyzing molecular structures, optimized for deep learning applications in structural biology.

deep-learning geometric-deep-learning protein-structure protein-structure-analysis pytorch

Last synced: 14 Jan 2026

https://github.com/dgcnz/relaxed-equivariance-dynamics

Code for "Effect of equivariance on training dynamics"

deep-learning equivariance geometric-deep-learning training-dynamics

Last synced: 09 Feb 2026

https://github.com/aidos-lab/inner-product-transforms

Point Cloud Synthesis Using Inner Product Transforms

geometric-deep-learning neurips-2025 topological-deep-learning

Last synced: 29 Jun 2026

https://github.com/filippomb/tutorial_gnn_explainability

This in an introduction to PyTorch Geometric, the deep learning library for Graph Neural Networks, and to interpretability tools for analyzing the decision process of a GNN.

captum explainability explainable-ai geometric-deep-learning graph-neural-networks pytorch-geometric tutorial tutorial-code

Last synced: 29 Jun 2026

https://github.com/rickymiura/traffic-speed-forecasting

Forecasting traffic speed using sensor data from San Diego highways and a Spatial-Temporal Graph Attention Network.

geometric-deep-learning graph-attention-network pytorch-geometric spatial-temporal traffic-speed-forecasting

Last synced: 12 Jul 2025

https://github.com/someoneserge/ms-thesis

"Geometric Deep Learning and Inverse Graphics", a Master's thesis

geometric-deep-learning inverse-graphics skoltech

Last synced: 07 Jan 2026

https://github.com/crisostomi/virality-prediction

Virality prediction of Twitter hashtags via Graph Neural Networks.

geometric-deep-learning graph-neural-networks hashtags twitter virality

Last synced: 10 Sep 2025