refactoring

.gitattributes

.gitlab-ci.yml

Dockerfile

README.md

ai4stem.ipynb

notebook/Application_of_pretrained_model.ipynb

notebook/Unsupervised_analysis_example.ipynb

notebook/data/Cu_fcc_100.npy

notebook/data/Fe_bcc_100.npy

notebook/data/Ti_hcp_0001.npy

notebook/data/assignments_Cu_fcc_100.npy

notebook/data/assignments_Fe_bcc_100.npy

notebook/data/assignments_Ti_hcp_0001.npy

notebook/data/nn_rep_Cu_fcc_100.npy

notebook/data/nn_rep_Fe_bcc_100.npy

notebook/data/nn_rep_Ti_hcp_0001.npy

notebook/data/uncertainty_Cu_fcc_100.npy

notebook/data/uncertainty_Fe_bcc_100.npy

notebook/data/uncertainty_Ti_hcp_0001.npy