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  1. Nov 13, 2024
    • s1737494's avatar
      Update file Run_MACE.ipynb · 6310d7dc
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      Update file Run_MACE.ipynb · f83ae29d
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      Update file Run_MACE.ipynb · d6054991
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    • s1737494's avatar
      Update 256 files · 9607eb06
      s1737494 authored 
      - /Workshop4/workshop_files_mark_1/.gitkeep
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- /Workshop4/workshop_files_mark_1/Run_MACE.ipynb
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- /Workshop4/ML4-workshop_files/Init.ipynb
- /Workshop4/ML4-workshop_files/Run_MACE.ipynb
- /Workshop4/ML4-workshop_files/.gitkeep
      9607eb06
    • s1737494's avatar
      Update 2 files · b1329fbd
      s1737494 authored 
      - /Workshop4/MolCal_draft_1.pptx
- /Workshop4/MolCal_draft_2.pptx
      b1329fbd
    • s1737494's avatar
      Update 6 files · 8f509281
      s1737494 authored 
      - /Workshop4/workshop_files_mark_1/xtb_md.xyz
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      - /Workshop4/workshop_files_mark_1/mace/.gitkeep
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- /Workshop4/workshop_files_mark_1/mace/tests/__init__.py
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- /Workshop4/workshop_files_mark_1/mace/tests/test_tools.py
- /Workshop4/workshop_files_mark_1/Init.ipynb
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