GitHub topics: geometric-deep-learning
ainimesh/EQAGNN-PPIS
This is the code repository for the paper E(Q)AGNN-PPIS.
Language: Python - Size: 2.18 GB - Last synced at: about 22 hours ago - Pushed at: about 24 hours ago - Stars: 1 - Forks: 0
patnicolas/geometriclearning
Classes and methods for Geometric Deep Learning to support Substack, LinkedIn newsletters and tutorials
Language: Python - Size: 141 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 14 - Forks: 4
PASSIONLab/OpenEquivariance
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
Language: Python - Size: 897 KB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 83 - Forks: 5
awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
Language: Python - Size: 963 KB - Last synced at: 1 day ago - Pushed at: almost 2 years ago - Stars: 770 - Forks: 160
pyg-team/pyg-lib
Low-Level Graph Neural Network Operators for PyG
Language: C++ - Size: 953 KB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 211 - Forks: 52
pyg-team/pytorch_geometric
Graph Neural Network Library for PyTorch
Language: Python - Size: 23.4 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 22,822 - Forks: 3,876
zaixizhang/Awesome-SBDD
Papers about Structure-based Drug Design (SBDD)
Size: 454 KB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 120 - Forks: 10
tgm-team/tgm
Efficient and Modular ML on Temporal Graphs
Language: Python - Size: 1.55 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 24 - Forks: 2
mims-harvard/PDGrapher
Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks
Language: Jupyter Notebook - Size: 59.5 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 28 - Forks: 7
microsoft/cliffordlayers
Language: Python - Size: 1.39 MB - Last synced at: 3 days ago - Pushed at: over 1 year ago - Stars: 163 - Forks: 21
rusty1s/pytorch_cluster
PyTorch Extension Library of Optimized Graph Cluster Algorithms
Language: C++ - Size: 2.62 MB - Last synced at: 4 days ago - Pushed at: 23 days ago - Stars: 890 - Forks: 159
pypose/pypose
A library for differentiable robotics.
Language: Python - Size: 12.1 MB - Last synced at: 7 days ago - Pushed at: 5 months ago - Stars: 1,446 - Forks: 112
vLAR-group/GrowSP
🔥GrowSP in PyTorch (CVPR 2023)
Language: Python - Size: 82.6 MB - Last synced at: 9 days ago - Pushed at: 10 days ago - Stars: 183 - Forks: 17
vLAR-group/OGC
🔥OGC in PyTorch (NeurIPS 2022 & TPAMI 2024)
Language: Python - Size: 106 MB - Last synced at: 9 days ago - Pushed at: 10 days ago - Stars: 105 - Forks: 8
vLAR-group/GrabS
🔥GrabS in PyTorch (ICLR 2025 Spotlight)
Language: Python - Size: 88.1 MB - Last synced at: 9 days ago - Pushed at: 10 days ago - Stars: 15 - Forks: 0
stellargraph/stellargraph
StellarGraph - Machine Learning on Graphs
Language: Python - Size: 92.5 MB - Last synced at: 8 days ago - Pushed at: over 1 year ago - Stars: 3,022 - Forks: 439
QUVA-Lab/escnn
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
Language: Python - Size: 33.2 MB - Last synced at: 10 days ago - Pushed at: 10 months ago - Stars: 460 - Forks: 57
atharvaaalok/geosimilarity
Differentiable curve and surface similarity measures.
Language: Python - Size: 82 KB - Last synced at: 6 days ago - Pushed at: 6 months ago - Stars: 10 - Forks: 2
Mugil-911/Auto-Target-Encoder
🎥 Automate video encoding with this GUI tool that uses machine learning to predict optimal settings for batch processing, enhancing efficiency and quality.
Language: Python - Size: 370 KB - Last synced at: 11 days ago - Pushed at: 12 days ago - Stars: 0 - Forks: 0
a-r-j/graphein
Protein Graph Library
Language: Jupyter Notebook - Size: 86.5 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 1,119 - Forks: 137
orlitany/orlitany.github.io
Language: TeX - Size: 68.3 MB - Last synced at: 11 days ago - Pushed at: 12 days ago - Stars: 3 - Forks: 1
Danfoa/symmetric_learning
Torch modules for equivariant/invariant learning using ESCNN
Language: Python - Size: 280 KB - Last synced at: 14 days ago - Pushed at: 14 days ago - Stars: 5 - Forks: 0
alibaba/Curvature-Learning-Framework
Curvlearn, a Tensorflow based non-Euclidean deep learning framework.
Language: Python - Size: 10.8 MB - Last synced at: 11 days ago - Pushed at: over 3 years ago - Stars: 164 - Forks: 33
joshivanhilario/Neura-AI
Discover ultra-fast, intelligent AI chat with our voice-enabled chatbot, powered by AI SDK, Groq AI, and Gemini AI. Ideal for customer support, virtual assistants, and interactive apps, offering seamless, real-time conversations. 🚀
Language: JavaScript - Size: 2.48 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 4 - Forks: 1
lab-cosmo/sphericart
Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
Language: C++ - Size: 11.4 MB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 87 - Forks: 16
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: 2 days ago - Pushed at: 6 months ago - Stars: 212 - Forks: 22
EdisonLeeeee/GraphGallery
GraphGallery is a gallery for benchmarking Graph Neural Networks
Language: Python - Size: 9.56 MB - Last synced at: 2 days ago - Pushed at: about 2 years ago - Stars: 468 - Forks: 63
HillaryDanan/relativistic-interpretability
A geometric framework for understanding neural network reasoning through multiple reference frames
Language: Python - Size: 52.7 KB - Last synced at: 23 days ago - Pushed at: 23 days ago - Stars: 0 - Forks: 0
rusty1s/pytorch_spline_conv
Implementation of the Spline-Based Convolution Operator of SplineCNN in PyTorch
Language: C++ - Size: 387 KB - Last synced at: 7 days ago - Pushed at: 23 days ago - Stars: 181 - Forks: 41
microsoft/ptgnn
A PyTorch Graph Neural Network Library
Language: Python - Size: 300 KB - Last synced at: 3 days ago - Pushed at: over 3 years ago - Stars: 375 - Forks: 39
lrnzgiusti/awesome-topological-deep-learning
A curated list of topological deep learning (TDL) resources and links.
Size: 126 KB - Last synced at: 4 days ago - Pushed at: 3 months ago - Stars: 255 - Forks: 20
Sentinal4D/cellshape
3D shape analysis using deep learning
Language: Python - Size: 5.5 MB - Last synced at: 10 days ago - Pushed at: almost 2 years ago - Stars: 26 - Forks: 6
LPDI-EPFL/masif-neosurf
MaSIF-neosurf: surface-based protein design for ternary complexes.
Language: Python - Size: 17.6 MB - Last synced at: 24 days ago - Pushed at: 24 days ago - Stars: 139 - Forks: 19
rusty1s/deep-graph-matching-consensus
Implementation of "Deep Graph Matching Consensus" in PyTorch
Language: Python - Size: 3.5 MB - Last synced at: 26 days ago - Pushed at: almost 4 years ago - Stars: 269 - Forks: 49
kirilllzaitsev/layout_aware_monodepth
(Self-) Supervised monocular depth estimation with geometrical regularization based on lines
Language: Python - Size: 3.74 MB - Last synced at: 29 days ago - Pushed at: 29 days ago - Stars: 0 - Forks: 0
tomek1911/GEPAR3D
Code repository for the 2025 MICCAI Paper "GEPAR3D: Geometry Prior-Assisted Learning for 3D Tooth Segmentation"
Language: Python - Size: 112 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 0
dianamindroc/smlm
Towards enhanced particle averaging for single-molecule localization microscopy using geometric deep learning
Language: Jupyter Notebook - Size: 1020 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 0
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: 17 days ago - Pushed at: over 1 year ago - Stars: 155 - Forks: 23
quiver-team/torch-quiver
PyTorch Library for Low-Latency, High-Throughput Graph Learning on GPUs.
Language: Python - Size: 4.95 MB - Last synced at: 25 days ago - Pushed at: about 2 years ago - Stars: 301 - Forks: 37
arnab39/equiadapt
Library to make any existing neural network architecture equivariant
Language: Jupyter Notebook - Size: 78.8 MB - Last synced at: 14 days ago - Pushed at: 10 months ago - Stars: 54 - Forks: 4
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: about 1 month ago - Pushed at: almost 2 years ago - Stars: 747 - Forks: 95
Byeol-Haneul/CosmoTopo
Topological Deep Learning on Cosmological Datasets
Language: Jupyter Notebook - Size: 3.75 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0
pedrocurvo/HAET
HAET: Hierarchical Attention Erwin Transolver is a hybrid neural architecture that combines physically-aware spatial decomposition with hierarchical attention for efficient and accurate learning on large-scale 3D meshes and point clouds.
Language: Python - Size: 357 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 1 - Forks: 0
hanjq17/GeoTDM
[NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
Language: Python - Size: 38.3 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 30 - Forks: 4
aidos-lab/rings
Relevant Information in Node features and Graph Structure
Language: Python - Size: 489 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 1
typedb/typedb-ml 📦
TypeDB-ML is the Machine Learning integrations library for TypeDB
Language: Python - Size: 11 MB - Last synced at: 4 days ago - Pushed at: almost 2 years ago - Stars: 551 - Forks: 92
msck2002/Grapher
Powerful open-source tool for graph visualization, data analysis, and real-time plotting. Simplify complex workflows with Grapher! 🌐📊
Size: 2.93 KB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
adosar/aidsorb
Python package for deep learning on molecular point clouds.
Language: Python - Size: 16.6 MB - Last synced at: 11 days ago - Pushed at: about 2 months ago - Stars: 4 - Forks: 1
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: 15 days ago - Pushed at: 10 months ago - Stars: 64 - Forks: 4
mims-harvard/SPECTRA
SPECTRA: Spectral framework for evaluation of biomedical AI models
Language: Jupyter Notebook - Size: 70.1 MB - Last synced at: 17 days ago - Pushed at: 6 months ago - Stars: 40 - Forks: 7
mims-harvard/ATOMICA
ATOMICA: Learning Universal Representations of Intermolecular Interactions
Language: Python - Size: 13.9 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 158 - 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: 8.86 MB - Last synced at: 28 days ago - Pushed at: 28 days ago - Stars: 34 - Forks: 3
chinmay5/semantically_consistent_graph_generation
Official code for the MICCAI 2025 paper "Semantically Consistent Discrete Diffusion for 3D Biological Graph Generation"
Language: Python - Size: 1.06 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
shchur/overlapping-community-detection
Implementation of "Overlapping Community Detection with Graph Neural Networks"
Language: Jupyter Notebook - Size: 16.3 MB - Last synced at: 14 days ago - Pushed at: almost 5 years ago - Stars: 168 - Forks: 47
rubenwiersma/hsn
Code for SIGGRAPH paper CNNs on Surfaces using Rotation-Equivariant Features
Language: Python - Size: 1.02 MB - Last synced at: 24 days ago - Pushed at: 7 months ago - Stars: 89 - Forks: 16
qitianwu/DIFFormer
The official implementation for ICLR23 spotlight paper "DIFFormer: Scalable (Graph) Transformers Induced by Energy Constrained Diffusion"
Language: Python - Size: 137 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 301 - Forks: 32
Hook12aaa/christopher
Field theory-based semantic system that starts with BGE embeddings and evolves through selective internet data acceptance/rejection using mathematical resonance criteria.
Language: Python - Size: 7.62 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 0 - Forks: 0
LukasZahradnik/PyNeuraLogic
PyNeuraLogic lets you use Python to create Differentiable Logic Programs
Language: Python - Size: 31.9 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 294 - Forks: 22
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: 5 days ago - Pushed at: over 2 years ago - Stars: 102 - Forks: 6
FluxML/GeometricFlux.jl
Geometric Deep Learning for Flux
Language: Julia - Size: 17.6 MB - Last synced at: 5 days ago - Pushed at: almost 2 years ago - Stars: 353 - Forks: 30
alexOarga/haiku-geometric
A collection of graph neural networks implementations in JAX
Language: Python - Size: 324 KB - Last synced at: 10 days ago - Pushed at: almost 2 years ago - Stars: 33 - Forks: 1
Amadeus-System/Amadeus-System
Size: 78.1 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0
AlexDuvalinho/geometric-gnns
List of Geometric GNNs for 3D atomic systems
Size: 4.87 MB - Last synced at: 3 months ago - Pushed at: over 1 year ago - Stars: 109 - Forks: 6
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: about 1 month ago - Pushed at: about 2 years ago - Stars: 143 - Forks: 10
lucidrains/VN-transformer
A Transformer made of Rotation-equivariant Attention using Vector Neurons
Language: Python - Size: 392 KB - Last synced at: 20 days ago - Pushed at: about 2 years ago - Stars: 92 - Forks: 4
APJansen/GroCo
Implementation of Group-Convolutions as Keras layers.
Language: Jupyter Notebook - Size: 1.39 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 4 - Forks: 0
lunarlab-gatech/Morphology-Informed-HGNN
[ICRA 2025] We present a Morphology-Informed Heterogeneous Graph Neural Network (MI-HGNN) for learning-based contact perception. The architecture and connectivity of the MI-HGNN are constructed from the robot morphology.
Language: Python - Size: 81.5 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 22 - Forks: 6
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
Language: Jupyter Notebook - Size: 733 KB - Last synced at: about 1 month ago - Pushed at: 4 months ago - Stars: 15 - Forks: 2
Graph-COM/HEPT
[ICML 2024 Oral] LSH-Based Efficient Point Transformer (HEPT)
Language: Python - Size: 3.24 MB - Last synced at: about 1 month ago - Pushed at: 7 months ago - Stars: 20 - Forks: 8
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: 3 months ago - Pushed at: over 5 years ago - Stars: 630 - Forks: 87
aidos-lab/neural-k-forms
Simplicial Representation Learning with Neural k-Forms
Language: Jupyter Notebook - Size: 323 MB - Last synced at: about 2 months ago - Pushed at: over 1 year ago - Stars: 12 - Forks: 5
andreagemelli/doc2graph
Doc2Graph transforms documents into graphs and exploit a GNN to solve several tasks.
Language: Jupyter Notebook - Size: 466 MB - Last synced at: 3 months ago - Pushed at: over 2 years ago - Stars: 121 - Forks: 20
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: 3 months ago - Pushed at: about 3 years ago - Stars: 1,159 - Forks: 156
lfkrapp/kitchenware
A Python toolkit for processing and analyzing molecular structures, optimized for deep learning applications in structural biology.
Language: Python - Size: 79.1 KB - Last synced at: 13 days ago - Pushed at: 4 months ago - Stars: 3 - Forks: 1
chaitjo/geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML 2023)
Language: Jupyter Notebook - Size: 4.6 MB - Last synced at: 3 months ago - Pushed at: over 1 year ago - Stars: 499 - Forks: 46
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: 4 months ago - Pushed at: 4 months ago - Stars: 29 - Forks: 1
BioinfoMachineLearning/DeepInteract
A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)
Language: Python - Size: 3 MB - Last synced at: 18 days ago - Pushed at: about 3 years ago - Stars: 64 - Forks: 11
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: 4 months ago - Pushed at: almost 2 years ago - Stars: 131 - Forks: 20
rusty1s/himp-gnn
Hierarchical Inter-Message Passing for Learning on Molecular Graphs
Language: Python - Size: 163 KB - Last synced at: 4 months ago - Pushed at: over 3 years ago - Stars: 79 - Forks: 6
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: about 2 months ago - Pushed at: almost 2 years ago - Stars: 73 - Forks: 16
atomicarchitects/equiformer
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
Language: Python - Size: 3.95 MB - Last synced at: 4 months ago - Pushed at: 7 months ago - Stars: 233 - Forks: 44
MinkaiXu/EGNO
ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
Language: Python - Size: 10.3 MB - Last synced at: about 2 months ago - Pushed at: over 1 year ago - Stars: 56 - Forks: 11
lunarlab-gatech/MorphSym-HGNN
[L4DC 2025] Morphological-Symmetry-Equvariant Heterogeneous Graph Neural Network for Robotic Dynamics Learning
Language: Python - Size: 96.6 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 8 - Forks: 1
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: 4 months ago - Pushed at: over 2 years ago - Stars: 228 - Forks: 28
AspirinCode/Dynamics-PLI Fork of lmqfly/Dynamics-PLI
Molecular dynamics-powered hierarchical geometric deep learning framework for protein-ligand interaction
Language: Python - Size: 18.8 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
zaixizhang/PocketGen
PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
Language: Python - Size: 15.8 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 176 - Forks: 18
MinkaiXu/GeoLDM
Geometric Latent Diffusion Models for 3D Molecule Generation
Language: Python - Size: 22.7 MB - Last synced at: 5 months ago - Pushed at: about 2 years ago - Stars: 244 - Forks: 45
mengliu1998/DeeperGNN
Official PyTorch implementation of "Towards Deeper Graph Neural Networks" [KDD2020]
Language: Python - Size: 72.3 KB - Last synced at: 4 months ago - Pushed at: almost 3 years ago - Stars: 155 - Forks: 32
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: 4 months ago - Pushed at: about 1 year ago - Stars: 58 - Forks: 7
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: 5 months ago - Pushed at: over 3 years ago - Stars: 253 - Forks: 36
cwangrun/BowelNet
[TMI 2022] BowelNet: Joint Semantic-Geometric Ensemble Learning for Bowel Segmentation from Both Partially and Fully Labeled CT Images
Language: Python - Size: 3.75 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 15 - Forks: 2
martinjolif/MVA
Assignments and Projects from the Master 2 MVA at ENS Paris-Saclay
Language: Jupyter Notebook - Size: 262 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
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: 5 months ago - Pushed at: 11 months ago - Stars: 12,525 - Forks: 2,950
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: 5 months ago - Pushed at: over 1 year ago - Stars: 183 - Forks: 39
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: 3 months ago - Pushed at: almost 4 years ago - Stars: 420 - Forks: 72
VicFisher/DiffPhore
Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
Language: Python - Size: 13.8 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 23 - Forks: 4
timkartar/DeepPBS
Geometric deep learning of protein–DNA binding specificity
Language: Python - Size: 245 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 64 - Forks: 6
atomicarchitects/equiformer_v2
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Language: Python - Size: 7.64 MB - Last synced at: 5 months ago - Pushed at: 7 months ago - Stars: 254 - Forks: 35
bentherien/parametricScatteringNetworks
[Oral; CVPR'22] Parametric Scattering Networks
Language: Python - Size: 3.74 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 24 - Forks: 5
kaftanski/fissure-segmentation
Keypoint-based Lung Fissure Segmentation with Geometric Deep Learning
Language: Python - Size: 1.9 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 1 - Forks: 1
