GitHub - matrixlabiisc/kfold: Active Learning driven fine-tuning of MLIPs for Solid Electrolyte-Electrode systems

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
iter1_cv		iter1_cv
01_build_folds.py		01_build_folds.py
02_gen_train_scripts.py		02_gen_train_scripts.py
03_evaluate_folds.py		03_evaluate_folds.py
D1_20structs.extxyz		D1_20structs.extxyz
D2_40structs.extxyz		D2_40structs.extxyz
documentation.md		documentation.md
test_burov_structures.extxyz		test_burov_structures.extxyz