Material_VAE

This is the repository for material project ML task.

Instruction

You need a python environment with the following package as minimum to start with this project:

Check the jupter notebooks first. For material data, you need to obtain it via Yi Wang or Thomas Ghorbanian.

Name		Name	Last commit message	Last commit date
Latest commit History 24 Commits
model		model
sgp_vae_exp_test		sgp_vae_exp_test
.gitignore		.gitignore
GMVAE.py		GMVAE.py
LICENSE		LICENSE
NormalizingFlow.py		NormalizingFlow.py
README.md		README.md
RNN_VAE.py		RNN_VAE.py
SOSFlow.py		SOSFlow.py
baseline.py		baseline.py
cluster.py		cluster.py
comparison_test.py		comparison_test.py
dataset.py		dataset.py
direct-pred.ipynb		direct-pred.ipynb
equivariant-direct-pred (1).ipynb		equivariant-direct-pred (1).ipynb
equivariant-direct-pred.ipynb		equivariant-direct-pred.ipynb
evaluate.py		evaluate.py
globarvar.py		globarvar.py
loss_function.py		loss_function.py
main.py		main.py
material_creator.py		material_creator.py
material_project_query.py		material_project_query.py
material_reader.py		material_reader.py
material_toy.py		material_toy.py
metric.py		metric.py
reduced-forms.ipynb		reduced-forms.ipynb
scattering_factors.json		scattering_factors.json
test_err.svg		test_err.svg
train_GMVAE.py		train_GMVAE.py
train_SOSFlow.py		train_SOSFlow.py
train_VAENF.py		train_VAENF.py
train_err.svg		train_err.svg
train_rnnvae.py		train_rnnvae.py
train_vae.py		train_vae.py
utils.py		utils.py
vae.ipynb		vae.ipynb
vae_classifier.ipynb		vae_classifier.ipynb
visualize.py		visualize.py
xrd-transform.ipynb		xrd-transform.ipynb