python spk_omdb_run.py --cuda --mode train --datapath /Users/sandy/schnetpack/dataset/OMDB-GAP1_v1.1.db --model_path /Users/sandy/schnetpack/model --property band_gap --dataset omdb --n_epochs 300
sailfish009 / gnn_molecule Goto Github PK
View Code? Open in Web Editor NEWThis project forked from avinashpathapati/gnn_molecule
graph neural networks for molecules
License: MIT License