GitHub - agoscinski/molecule-learn: some code for doing regression on atomic structures, ATM quick and dirty

qm9 download requires schnetpack

Name		Name	Last commit message	Last commit date
Latest commit History 15 Commits
datasets		datasets
results		results
src		src
.gitignore		.gitignore
README.md		README.md
rascal_soap_regression_qm9.py		rascal_soap_regression_qm9.py

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