nep框架搭建

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koko

2025-12-08 17:14:27 +08:00

parent 7a6ca92ad4

commit 0b6537a810

21 changed files with 219 additions and 1 deletions

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nep_auto/modules/__init__.py Normal file

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nep_auto/modules/base_module.py Normal file

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nep_auto/modules/m0_preheat.py Normal file

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nep_auto/modules/m1_md.py Normal file

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nep_auto/modules/m2_select.py Normal file

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nep_auto/modules/m3_scf.py Normal file

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nep_auto/modules/m4_train.py Normal file

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nep_auto/modules/m5_predict.py Normal file