Does it support custom graph data?

Yes, the skill includes templates for creating custom InMemoryDataset objects and loading graph data directly from CSV or Pandas DataFrames.

What is PyTorch Geometric (PyG)?

PyTorch Geometric is a library built on top of PyTorch specifically designed for deep learning on graphs and other irregular structures like point clouds.

Can this skill help with large-scale graph datasets?

Yes, it includes patterns for neighbor sampling, distributed training, and efficient data loaders designed for graphs that exceed GPU memory.

What GNN architectures are supported?

The skill provides guidance and implementation patterns for over 40 convolutional layers, including Graph Convolutional Networks (GCN), Graph Attention Networks (GAT), and GraphSAGE.

Is this skill useful for molecular biology?

Absolutely. It is highly optimized for molecular property prediction, protein-protein interaction modeling, and other geometric deep learning tasks in the life sciences.

PyTorch Geometric (PyG)

Name: PyTorch Geometric (PyG)
Author: jimmc414

byjimmc414

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324

データサイエンスとML

Develops and trains Graph Neural Networks (GNNs) for analyzing irregular data structures and relational datasets.

概要

PyTorch Geometric (PyG) is a specialized library built on PyTorch designed for deep learning on graphs and irregular structures. This skill enables Claude to architect, implement, and optimize complex Graph Neural Network models such as GCN, GAT, and GraphSAGE. It provides domain-specific patterns for handling heterogeneous graphs, mini-batch processing, and large-scale graph learning, making it an essential tool for scientific discovery, social network analysis, and molecular property prediction.

主な機能

Specialized utilities for 3D geometric data and point cloud processing
Support for heterogeneous graphs and knowledge graph embeddings
Efficient mini-batching and neighborhood sampling for large datasets
Standardized templates for node classification and link prediction workflows
Implementation of popular GNN layers including GCN, GAT, and GraphSAGE
324 GitHub stars

ユースケース

Molecular property prediction for drug discovery and chemistry research
Citation network classification and knowledge graph completion
Social network analysis for community detection and recommendation systems

概要

主な機能

Specialized utilities for 3D geometric data and point cloud processing
Support for heterogeneous graphs and knowledge graph embeddings
Efficient mini-batching and neighborhood sampling for large datasets
Standardized templates for node classification and link prediction workflows
Implementation of popular GNN layers including GCN, GAT, and GraphSAGE
324 GitHub stars

ユースケース

Molecular property prediction for drug discovery and chemistry research
Citation network classification and knowledge graph completion
Social network analysis for community detection and recommendation systems