geometric-deep-learning | Topic | Ecosyste.ms: Repos

Topic: "geometric-deep-learning"

pyg-team/pytorch_geometric

Graph Neural Network Library for PyTorch

Language: Python - Size: 22.2 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 22,250 - Forks: 3,797

kmario23/deep-learning-drizzle

Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!

Language: HTML - Size: 261 KB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 12,525 - Forks: 2,950

stellargraph/stellargraph

StellarGraph - Machine Learning on Graphs

Language: Python - Size: 92.5 MB - Last synced at: 16 days ago - Pushed at: about 1 year ago - Stars: 2,995 - Forks: 432

ranahanocka/MeshCNN

Convolutional Neural Network for 3D meshes in PyTorch

Language: Python - Size: 3.48 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 1,645 - Forks: 326

pypose/pypose

A library for differentiable robotics.

Language: Python - Size: 12.1 MB - Last synced at: 16 days ago - Pushed at: 28 days ago - Stars: 1,370 - Forks: 110

lightaime/deep_gcns_torch

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

Language: Python - Size: 7.02 MB - Last synced at: 17 days ago - Pushed at: over 2 years ago - Stars: 1,158 - Forks: 155

a-r-j/graphein

Protein Graph Library

Language: Jupyter Notebook - Size: 86.8 MB - Last synced at: 12 days ago - Pushed at: about 2 months ago - Stars: 1,084 - Forks: 134

rusty1s/pytorch_cluster

PyTorch Extension Library of Optimized Graph Cluster Algorithms

Language: C++ - Size: 2.6 MB - Last synced at: 7 days ago - Pushed at: 15 days ago - Stars: 862 - Forks: 155

awslabs/dgl-lifesci

Python package for graph neural networks in chemistry and biology

Language: Python - Size: 963 KB - Last synced at: 12 days ago - Pushed at: over 1 year ago - Stars: 750 - Forks: 160

AstraZeneca/chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Language: Python - Size: 20.4 MB - Last synced at: 12 months ago - Pushed at: over 1 year ago - Stars: 700 - Forks: 88

lightaime/deep_gcns

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

Language: Python - Size: 219 MB - Last synced at: about 1 month ago - Pushed at: over 5 years ago - Stars: 632 - Forks: 88

typedb/typedb-ml 📦

TypeDB-ML is the Machine Learning integrations library for TypeDB

Language: Python - Size: 11 MB - Last synced at: 3 days ago - Pushed at: over 1 year ago - Stars: 549 - Forks: 93

LPDI-EPFL/masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

Language: Python - Size: 91.5 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 479 - Forks: 138

EdisonLeeeee/GraphGallery

GraphGallery is a gallery for benchmarking Graph Neural Networks

Language: Python - Size: 9.56 MB - Last synced at: 13 days ago - Pushed at: over 1 year ago - Stars: 467 - Forks: 62

chaitjo/geometric-gnn-dojo

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

Language: Jupyter Notebook - Size: 4.6 MB - Last synced at: 9 months ago - Pushed at: 11 months ago - Stars: 446 - Forks: 43

Yochengliu/Relation-Shape-CNN

Relation-Shape Convolutional Neural Network for Point Cloud Analysis (CVPR 2019 Oral & Best paper finalist)

Language: Python - Size: 18.7 MB - Last synced at: 20 days ago - Pushed at: over 3 years ago - Stars: 420 - Forks: 72

microsoft/ptgnn

A PyTorch Graph Neural Network Library

Language: Python - Size: 300 KB - Last synced at: 6 days ago - Pushed at: about 3 years ago - Stars: 375 - Forks: 39

QUVA-Lab/escnn

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

Language: Python - Size: 33.2 MB - Last synced at: 6 months ago - Pushed at: 7 months ago - Stars: 356 - Forks: 47

FluxML/GeometricFlux.jl

Geometric Deep Learning for Flux

Language: Julia - Size: 17.6 MB - Last synced at: 30 days ago - Pushed at: over 1 year ago - Stars: 352 - Forks: 30

Nicholasli1995/EvoSkeleton

Official project website for the CVPR 2020 paper (Oral Presentation) "Cascaded deep monocular 3D human pose estimation wth evolutionary training data"

Language: Python - Size: 17.1 MB - Last synced at: about 1 year ago - Pushed at: almost 4 years ago - Stars: 323 - Forks: 43

quiver-team/torch-quiver

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

Language: Python - Size: 4.95 MB - Last synced at: 21 days ago - Pushed at: over 1 year ago - Stars: 299 - Forks: 36

qitianwu/DIFFormer

The official implementation for ICLR23 spotlight paper "DIFFormer: Scalable (Graph) Transformers Induced by Energy Constrained Diffusion"

Language: Python - Size: 125 KB - Last synced at: 30 days ago - Pushed at: about 2 months ago - Stars: 295 - Forks: 32

LukasZahradnik/PyNeuraLogic

PyNeuraLogic lets you use Python to create Differentiable Logic Programs

Language: Python - Size: 31.9 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 291 - Forks: 21

chaitjo/graph-convnet-tsp 📦

Code for the paper 'An Efficient Graph Convolutional Network Technique for the Travelling Salesman Problem' (INFORMS Annual Meeting Session 2019)

Language: Python - Size: 1.63 MB - Last synced at: about 1 year ago - Pushed at: about 3 years ago - Stars: 277 - Forks: 60

rusty1s/deep-graph-matching-consensus

Implementation of "Deep Graph Matching Consensus" in PyTorch

Language: Python - Size: 3.5 MB - Last synced at: 13 days ago - Pushed at: over 3 years ago - Stars: 264 - Forks: 48

atomicarchitects/equiformer_v2

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

Language: Python - Size: 7.64 MB - Last synced at: 30 days ago - Pushed at: 2 months ago - Stars: 254 - Forks: 35

vijaydwivedi75/gnn-lspe

Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations), ICLR 2022

Language: Python - Size: 267 KB - Last synced at: 23 days ago - Pushed at: about 3 years ago - Stars: 253 - Forks: 36

MinkaiXu/GeoLDM

Geometric Latent Diffusion Models for 3D Molecule Generation

Language: Python - Size: 22.7 MB - Last synced at: 16 days ago - Pushed at: almost 2 years ago - Stars: 244 - Forks: 45

lrnzgiusti/awesome-topological-deep-learning

A curated list of topological deep learning (TDL) resources and links.

Size: 118 KB - Last synced at: about 3 hours ago - Pushed at: about 2 months ago - Stars: 243 - Forks: 15

atomicarchitects/equiformer

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

Language: Python - Size: 3.95 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 226 - Forks: 43

basiralab/GNNs-in-Network-Neuroscience

A review of papers proposing novel GNN methods with application to brain connectivity published in 2017-2020.

Size: 55.7 KB - Last synced at: 5 months ago - Pushed at: about 2 years ago - Stars: 215 - Forks: 28

abhi1kumar/DEVIANT

[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection

Language: C++ - Size: 8.17 MB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 210 - Forks: 30

pyg-team/pyg-lib

Low-Level Graph Neural Network Operators for PyG

Language: C++ - Size: 765 KB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 191 - Forks: 46

chaitjo/geometric-rna-design

gRNAde: Geometric Deep Learning for 3D RNA inverse design (ICLR 2025 Spotlight)

Language: Jupyter Notebook - Size: 305 MB - Last synced at: 16 days ago - Pushed at: about 2 months ago - Stars: 190 - Forks: 19

mims-harvard/TxGNN

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

Language: Jupyter Notebook - Size: 7.68 MB - Last synced at: about 1 month ago - Pushed at: 12 months ago - Stars: 183 - Forks: 39

rusty1s/pytorch_spline_conv

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

Language: C++ - Size: 364 KB - Last synced at: 12 days ago - Pushed at: 15 days ago - Stars: 178 - Forks: 36

zaixizhang/PocketGen

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

Language: Python - Size: 15.8 MB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 176 - Forks: 18

shchur/overlapping-community-detection

Implementation of "Overlapping Community Detection with Graph Neural Networks"

Language: Jupyter Notebook - Size: 16.3 MB - Last synced at: 17 days ago - Pushed at: over 4 years ago - Stars: 163 - Forks: 47

lightaime/sgas

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

Language: Python - Size: 1.06 MB - Last synced at: about 1 month ago - Pushed at: almost 4 years ago - Stars: 162 - Forks: 28

alibaba/Curvature-Learning-Framework

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

Language: Python - Size: 10.8 MB - Last synced at: 5 days ago - Pushed at: about 3 years ago - Stars: 160 - Forks: 31

mengliu1998/DeeperGNN

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

Language: Python - Size: 72.3 KB - Last synced at: 21 days ago - Pushed at: over 2 years ago - Stars: 156 - Forks: 32

microsoft/cliffordlayers

Language: Python - Size: 1.39 MB - Last synced at: 6 days ago - Pushed at: about 1 year ago - Stars: 153 - Forks: 19

PKU-DAIR/SGL

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

Language: Python - Size: 4.08 MB - Last synced at: 12 days ago - Pushed at: 12 months ago - Stars: 150 - Forks: 22

rubenwiersma/deltaconv

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

Language: Jupyter Notebook - Size: 33.4 MB - Last synced at: 16 days ago - Pushed at: over 1 year ago - Stars: 140 - Forks: 10

dhavalpotdar/Graph-Convolution-on-Structured-Documents

This repo contains code to convert Structured Documents to Graphs and implement a Graph Convolution Neural Network for node classification

Language: Python - Size: 634 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 140 - Forks: 63

Yochengliu/DensePoint

DensePoint: Learning Densely Contextual Representation for Efficient Point Cloud Processing (ICCV 2019)

Language: Python - Size: 1.88 MB - Last synced at: 27 days ago - Pushed at: over 3 years ago - Stars: 119 - Forks: 24

mims-harvard/ATOMICA

ATOMICA: Learning Universal Representations of Intermolecular Interactions

Language: Python - Size: 13.9 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 109 - Forks: 10

LBM-EPFL/PeSTo

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

Language: Jupyter Notebook - Size: 378 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 108 - Forks: 15

vLAR-group/OGC

🔥OGC in PyTorch (NeurIPS 2022 & TPAMI 2024)

Language: Python - Size: 106 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 105 - Forks: 8

LPDI-EPFL/masif-neosurf

MaSIF-neosurf: surface-based protein design for ternary complexes.

Language: Python - Size: 17.6 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 103 - Forks: 15

Thinklab-SJTU/awesome-molecular-docking

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Size: 86.9 KB - Last synced at: 1 day ago - Pushed at: about 2 years ago - Stars: 100 - Forks: 6

AlexDuvalinho/geometric-gnns

List of Geometric GNNs for 3D atomic systems

Size: 4.87 MB - Last synced at: 2 months ago - Pushed at: about 1 year ago - Stars: 99 - Forks: 7

rubenwiersma/hsn

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

Language: Python - Size: 1.02 MB - Last synced at: 19 days ago - Pushed at: 3 months ago - Stars: 88 - Forks: 16

zaixizhang/Awesome-SBDD

Papers about Structure-based Drug Design (SBDD)

Size: 399 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 88 - Forks: 8

lucidrains/VN-transformer

A Transformer made of Rotation-equivariant Attention using Vector Neurons

Language: Python - Size: 392 KB - Last synced at: 1 day ago - Pushed at: over 1 year ago - Stars: 88 - Forks: 4

jiangzhongshi/SurfaceNetworks

Source code for CVPR 2018 Oral paper "Surface Networks"

Language: Python - Size: 63.5 KB - Last synced at: about 2 years ago - Pushed at: about 5 years ago - Stars: 86 - Forks: 20

lab-cosmo/sphericart

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

Language: C++ - Size: 11.2 MB - Last synced at: about 22 hours ago - Pushed at: about 22 hours ago - Stars: 83 - Forks: 15

mims-harvard/PINNACLE

Contextual AI models for single-cell protein biology

Language: Python - Size: 771 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 79 - Forks: 20

rusty1s/himp-gnn

Hierarchical Inter-Message Passing for Learning on Molecular Graphs

Language: Python - Size: 163 KB - Last synced at: 27 days ago - Pushed at: over 3 years ago - Stars: 78 - Forks: 6

SitaoLuan/ACM-GNN

NeurIPS 2022, Revisiting Heterophily For Graph Neural Networks, official PyTorch implementation for Adaptive Channel Mixing (ACM) GNN framework

Language: Python - Size: 26.3 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 72 - Forks: 8

zetayue/MXMNet

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

Language: Python - Size: 48.2 MB - Last synced at: 5 months ago - Pushed at: over 1 year ago - Stars: 69 - Forks: 16

CDInstitute/Building-Dataset-Generator

Procedural 3D data generation pipeline for architecture

Language: Python - Size: 174 MB - Last synced at: about 1 year ago - Pushed at: over 3 years ago - Stars: 67 - Forks: 14

XuyangBai/KPConv.pytorch

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

Language: C++ - Size: 110 KB - Last synced at: about 1 month ago - Pushed at: almost 5 years ago - Stars: 67 - Forks: 9

stefaniaebli/simplicial_neural_networks

Simplicial neural networks (SNNs), a generalization of graph neural networks to data that live on a class of topological spaces called simplicial complexes.

Language: Jupyter Notebook - Size: 2.41 MB - Last synced at: 12 months ago - Pushed at: about 4 years ago - Stars: 65 - Forks: 7

timkartar/DeepPBS

Geometric deep learning of protein–DNA binding specificity

Language: Python - Size: 245 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 64 - Forks: 6

qitianwu/GraphOOD-GNNSafe

The official implementation for ICLR23 paper "GNNSafe: Energy-based Out-of-Distribution Detection for Graph Neural Networks"

Language: Python - Size: 2.37 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 64 - Forks: 4

BioinfoMachineLearning/DeepInteract

A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)

Language: Python - Size: 3 MB - Last synced at: 15 days ago - Pushed at: almost 3 years ago - Stars: 63 - Forks: 11

andreagemelli/doc2graph

Doc2Graph transforms documents into graphs and exploit a GNN to solve several tasks.

Language: Jupyter Notebook - Size: 466 MB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 62 - Forks: 13

ranahanocka/ALIGNet

code to train a neural network to align pairs of shapes without needing ground truth warps for supervision

Language: Cuda - Size: 523 KB - Last synced at: over 1 year ago - Pushed at: almost 6 years ago - Stars: 62 - Forks: 16

Dynamics-of-Neural-Systems-Lab/MARBLE

Package for the data-driven representation of non-linear dynamics over manifolds based on a statistical distribution of local phase portrait features. Includes specific example on dynamical systems, synthetic- and real neural datasets.

Language: Python - Size: 217 MB - Last synced at: about 1 month ago - Pushed at: 2 months ago - Stars: 58 - Forks: 6

lsj2408/Gaunt-Tensor-Product

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

Language: Python - Size: 16.3 MB - Last synced at: 18 days ago - Pushed at: 6 months ago - Stars: 58 - Forks: 2

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

Language: Python - Size: 867 KB - Last synced at: 25 days ago - Pushed at: 9 months ago - Stars: 57 - Forks: 7

MinkaiXu/EGNO

ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

Language: Python - Size: 10.3 MB - Last synced at: 20 days ago - Pushed at: about 1 year ago - Stars: 55 - Forks: 8

ncfrey/litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

Language: Jupyter Notebook - Size: 511 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 55 - Forks: 13

XieResearchGroup/Physics-aware-Multiplex-GNN

Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"

Language: Python - Size: 1.43 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 54 - Forks: 10

QiujieDong/Laplacian2Mesh

Laplacian2Mesh: Laplacian-Based Mesh Understanding

Language: Python - Size: 7.61 MB - Last synced at: about 1 month ago - Pushed at: 10 months ago - Stars: 54 - Forks: 5

zaixizhang/FLAG

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

Language: Python - Size: 6.93 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 53 - Forks: 7

CUAI/Differentiable-Frechet-Mean

[ICML 2020] Differentiating through the Fréchet Mean (https://arxiv.org/abs/2003.00335).

Language: Python - Size: 10.7 KB - Last synced at: 12 months ago - Pushed at: over 3 years ago - Stars: 52 - Forks: 3

arnab39/equiadapt

Library to make any existing neural network architecture equivariant

Language: Jupyter Notebook - Size: 78.8 MB - Last synced at: 12 days ago - Pushed at: 6 months ago - Stars: 51 - Forks: 4

PASSIONLab/OpenEquivariance

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

Language: Python - Size: 681 KB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 49 - Forks: 4

mims-harvard/SPECTRA

SPECTRA: Spectral framework for evaluation of biomedical AI models

Language: Jupyter Notebook - Size: 70.1 MB - Last synced at: 14 days ago - Pushed at: about 2 months ago - Stars: 38 - Forks: 7

sophiaas/spectral-universality

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

Language: Python - Size: 445 KB - Last synced at: 21 days ago - Pushed at: about 1 year ago - Stars: 38 - Forks: 4

LBM-EPFL/CARBonAra

Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protein entities.

Language: Jupyter Notebook - Size: 318 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 34 - Forks: 6

changkun/gp

🏭 Geometry Processing at LMU Munich

Language: TypeScript - Size: 120 MB - Last synced at: 5 days ago - Pushed at: almost 3 years ago - Stars: 34 - Forks: 21

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.

Language: Python - Size: 8.75 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 33 - Forks: 2

alexOarga/haiku-geometric

A collection of graph neural networks implementations in JAX

Language: Python - Size: 324 KB - Last synced at: 17 days ago - Pushed at: over 1 year ago - Stars: 32 - Forks: 1

atomicarchitects/DeNS

[TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

Language: Python - Size: 11.4 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 31 - Forks: 2

mims-harvard/GNNDelete

General Strategy for Unlearning in Graph Neural Networks

Language: Python - Size: 179 KB - Last synced at: about 1 year ago - Pushed at: about 2 years ago - Stars: 31 - Forks: 8

safreita1/malnet-graph

A large-scale database for graph representation learning

Language: Python - Size: 581 KB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 30 - Forks: 11

fedelopez77/sympa

Embedding graphs in symmetric spaces

Language: Python - Size: 6.67 MB - Last synced at: about 1 month ago - Pushed at: over 3 years ago - Stars: 30 - Forks: 9

gd-vae/gd-vae

Geometric Dynamic Variational Autoencoders (GD-VAEs) for learning embedding maps for nonlinear dynamics into general latent spaces. This includes methods for standard latent spaces or manifold latent spaces with specified geometry and topology. The manifold latent spaces can be based on analytic expressions or general point cloud representations.

Language: TeX - Size: 29.7 MB - Last synced at: 9 days ago - Pushed at: over 1 year ago - Stars: 28 - Forks: 1