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  1. 05 Apr, 2026 1 commit
    • Wang, Leping's avatar
      - Add config.sh with all pipeline parameters organized by category · cc6e6b7d
      Wang, Leping authored 
        (molecular, crystal structure, compute, run mode, path)
- Refactor search_gen_proc.sh to source config.sh instead of
  hardcoding parameters, with optional config path argument
- Refactor structure_generate.py to load config.sh via exec(),
  replacing hardcoded values with config-driven parameters
- Remove mace-bench (the relaxation part, it will be replaced by updated seperate mace-bench project )
      cc6e6b7d