59 dependents
Package Description Downloads/month
PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine... 8K
Graphium: Scaling molecular GNNs to infinity. 3K
A powerful and flexible machine learning platform for drug discovery 2K
CDVAE property model evaluation for crystal structures 2K
Point Cloud Deep Learning Extension Library for PyTorch 2K
Hom-/Heter-ophilic Graphs Datasets 2K
STACCI for STCase 2K
A GAT-based computational framework to predict long-range gene regulatory relati... 1K
mlmm - ML/MM toolkit for enzyme reaction analysis 1K
CellNiche represents cellular microenvironments in atlas-scale spatial omics dat... 1K
The library for pooling in Graph Neural Networks made for Pytorch Geometric 1K
A collection of graph datasets in torch_geometric format. 754
Geometric Learning for Genome Data 715
A Newtonian message passing network for deep learning of interatomic potentials ... 657
The PyTorch Geometric adapter for ArangoDB 517
GraphMuse is a Python Library for Graph Deep Learning on Symbolic Music. 499
Protein Set Transformer (PST) framework for training protein-language-model-base... 461
Official implementation of MatterGen -- a generative model for inorganic materia... 425
A PyThon implementation of NNGLS 420
DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio acc... 413
stClinic for dissecting clinically relevant niches by integrating spatial multi-... 385
A deep learning library for drug response prediction 369
PyTorch Flexible Hash Embeddings 366
general deep algorithm for business, marketing and advertisement 363
FedGraph (Federated Graph) is a library built upon PyTorch to easily train Graph... 360
Tools for computational chemistry and deep learning. 359
Library for Processing Calorimeter Images as PointClouds for Generative Models 313
DeepTAN: A multi-task framework designed to infer multi-omics trait-associated n... 304
NuGraph2: A Graph Neural Network for neutrino physics event reconstruction 283
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks 271
iCYPRESS: identifying CYtokine PREdictors of diSeaSe. A library that analyzes cy... 248
CRAFT: Consistent Representational Fusion of Three Molecular Modalities. 243
Electron Density Neural Network for chemistry 238
Source code and detailed tutorials for "Alignment of Distant Slices of Spatially... 237
A Unified Library for Deep Graph Clustering 219
ProteusAI is a library for the machine learning driven engineering of proteins. ... 217
Accelerated hydration site localization and thermodynamic profiling 213
A pip package for FoToM (Foundational Topology Models), pretrained models for gr... 211
Unified RNA Analysis Toolkit - ML-powered RNA sequence analysis and structure pr... 205
203
Spatial Transcriptomics cell-cell Communication and subtype exploration 200
Attention-based Multi-instance Mixed Models 189
Package for a novel graph-based transformer model for reaction prediction 181
FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegres... 162
CliffordIP: Clifford Algebra Equivariant Interatomic Potentials for Heterogeneou... 158
MatterGen is a generative model for inorganic materials design across the period... 155
A framework for multimodal fusion of tabular and text data. 135
Graphium: Scaling molecular GNNs to infinity. 122
Molecular Machine Learning for Chemical Applications - A comprehensive Python pa... 117
A library for crowdflow prediction! 107