gnn

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

Name		Name	Last commit message	Last commit date
Latest commit History 368 Commits
pytorch_geometric		pytorch_geometric
schnetpack		schnetpack
.DS_Store		.DS_Store
CONTRIBUTING.md		CONTRIBUTING.md
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
README_geom.md		README_geom.md
readthedocs.yml		readthedocs.yml
requirements.txt		requirements.txt
runGPU.sh		runGPU.sh
runGPU_default_schnet.sh		runGPU_default_schnet.sh
runGPU_gdp.sh		runGPU_gdp.sh
runGPU_gdp_xyz.sh		runGPU_gdp_xyz.sh
setup.cfg		setup.cfg
setup.py		setup.py
setup_geom.py		setup_geom.py

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