├── .gitignore ├── LICENCE ├── MANIFEST.in ├── README.md ├── examples ├── data │ └── desc.npy ├── img │ └── dpeva-workflow.png └── sampling │ ├── 2-direct.ipynb │ └── direct.ipynb ├── pyproject.toml ├── requirements.txt ├── src └── dpeva │ ├── __init__.py │ ├── sampling │ ├── __init__.py │ ├── clustering.py │ ├── direct.py │ ├── pca.py │ └── stratified_sampling.py │ └── uncertain │ └── __init__.py └── utils ├── dpdata_update.py ├── dpdescriptor ├── calc_desc.py ├── check_desc_len.py ├── desc_all.sh ├── gen_desc.py ├── gen_desc_stru.py ├── pca_desc_stru.py └── tsne_cuml_stru.py └── fp ├── FeCHO_split_treat-ftv3.py ├── abacus-forloop.slurm ├── check_conv.sh ├── conv_calc_collect.py ├── reprepare.py ├── run.sh ├── run_check_conv.sh ├── run_process_run.sh └── subjob_dist.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/QuantumMisaka/dpeva/HEAD/.gitignore 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