Skill

bio-applied-molecular-gnn

Train PyTorch Geometric GCN/MPNN on SMILES-derived molecular graphs to predict properties (BBBP, solubility, toxicity); compare vs Morgan-fingerprint RF. Use for GNN property prediction or SMILES-to-graph pipelines.

Claim this listing

Connect your GitHub to prove you own or maintain this listing. We verify repo access automatically — most publishers are confirmed in seconds.

1Connect GitHub

2Submit your claim

3Auto-verified, or reviewed within 48h