GitHub - spiningup/Machine-learning-methods-for-materials-science: Evaluate various supervised learning methods to predict cohesive energies of solids (kernel ridge regression is the best)

Name		Name	Last commit message	Last commit date
Latest commit History 98 Commits
icsd		icsd
tests		tests
vasptools		vasptools
README.md		README.md
analyze_alpha.py		analyze_alpha.py
bandgap_expt.dat		bandgap_expt.dat
binary.py		binary.py
calculate_atoms.py		calculate_atoms.py
get_RS.py		get_RS.py
get_atom_properties.py		get_atom_properties.py
get_coordination.py		get_coordination.py
get_exptgap.py		get_exptgap.py
get_exptvol.py		get_exptvol.py
madelung.py		madelung.py
main.py		main.py
ml.py		ml.py
plot_data_statistics.py		plot_data_statistics.py
read_json.py		read_json.py
setup_atoms.py		setup_atoms.py
split_dataset.py		split_dataset.py
visualize.py		visualize.py
write_csv.py		write_csv.py