34 dependents
Package Description Downloads/month
Graphium: Scaling molecular GNNs to infinity. 3K
A powerful and flexible machine learning platform for drug discovery 2K
Point Cloud Deep Learning Extension Library for PyTorch 2K
STACCI for STCase 2K
A GAT-based computational framework to predict long-range gene regulatory relati... 1K
CellNiche represents cellular microenvironments in atlas-scale spatial omics dat... 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
Batched optimisation algorithms for neural network potential driven molecular dy... 574
GraphMuse is a Python Library for Graph Deep Learning on Symbolic Music. 499
Pytorch implementation of Contact Graspnet 440
Official implementation of MatterGen -- a generative model for inorganic materia... 425
A deep learning library for drug response prediction 369
general deep algorithm for business, marketing and advertisement 363
FedGraph (Federated Graph) is a library built upon PyTorch to easily train Graph... 360
DeepTAN: A multi-task framework designed to infer multi-omics trait-associated n... 304
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks 271
Equivariant Flow Matching for Molecular Conformer Generation 253
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
Unified RNA Analysis Toolkit - ML-powered RNA sequence analysis and structure pr... 205
Spatial Transcriptomics cell-cell Communication and subtype exploration 200
Package for a novel graph-based transformer model for reaction prediction 181
FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegres... 162
MatterGen is a generative model for inorganic materials design across the period... 155
A framework for multimodal fusion of tabular and text data. 135
A multimodal AutoML platform for classification and regression tasks 125
Graphium: Scaling molecular GNNs to infinity. 122
Benchmarking and generating PE for GNNs via the Graph Alignment task. Code for o... 104
Synthetic Accessibility via Fragment Assembly Generation 98
A package for constructing equivariant GNNs building upon pyg. 70
A package for polymer graph-based property prediction and generative design. 1