Build graph neural networks for classification
torch-geometricskillsetup L3★27,559
K-Dense-AI/scientific-agent-skills ↗What it does
Build graph neural networks with message passing layers
Best for
When building custom GNN layers for node/link/graph classification.
Inputs
- · Tensor or numpy array
- · Molecular structure (SMILES)
Outputs
- · Tensor or embedding
- · Predictions or logits
Requires
- · PyTorch
- · torch-geometric
Preconditions
Python 3.10+; PyTorch installed
Failure modes
CUDA out-of-memory with large models
Trust signals
- · Version compatibility matrix