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Commits on Mar 17, 2026

• fix: handle missing ResourceDefinition in runner initialization

  

  buldin

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Commits on Mar 16, 2026

• Merge remote-tracking branch 'origin/main'

  WolfgangWenzel

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  263db8f

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• Enhance process validation in `RunnerManager` to ensure only `simstack_runner` processes are detected. Improve error handling for stale PID files by raising a `RuntimeError` instead of exiting.

  WolfgangWenzel

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  7001d63

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Commits on Mar 14, 2026

• Refactor parameter handling and improve task execution logic

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  WolfgangWenzel

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• Remove unused file and improve dataset handling, molecule loading, and job parameters.

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  WolfgangWenzel

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Commits on Mar 12, 2026

• Refactor node handling and enhance project validation.

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  WolfgangWenzel

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Commits on Mar 4, 2026

• Update SimStack dependency to track main branch

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  WolfgangWenzel

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Commits on Feb 28, 2026

• Improve logging context in `Node` operations

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  WolfgangWenzel

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Commits on Feb 26, 2026

• Remove unused optoelectronics module and update database user.

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  WolfgangWenzel

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  4903a3a

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Commits on Feb 25, 2026

• Fix logging issues and correct variable reference.

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  WolfgangWenzel

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  45f1fe3

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Commits on Feb 23, 2026

• Refactor resource handling to support default resource checks

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  WolfgangWenzel

  committed
  5ede4f1

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• Add `--no-pull` flag to runner and enhance RunnerManager to support conditional Git operations

  WolfgangWenzel

  committed
  5456346

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• Comment out stash drop command in `git_uv_update_service.py` to prevent potential data removal during updates.

  WolfgangWenzel

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Commits on Feb 22, 2026

• Refactor error handling and add log cleanup utility

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  WolfgangWenzel

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Commits on Feb 19, 2026

• Refactor logging in Slurm service and optimize file handling

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  WolfgangWenzel

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Commits on Feb 15, 2026

• Add molecular scaffold generation logic and utility lists

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  WolfgangWenzel

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Commits on Feb 13, 2026

• Improve error messaging and simplify file handling in node execution

  WolfgangWenzel

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• Add failing node example and refine node execution logic

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  WolfgangWenzel

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Commits on Feb 11, 2026

• Add MongoDB size checks and improve task status handling

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  WolfgangWenzel

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Commits on Feb 10, 2026

• Refactor queue handling and improve robustness in services

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  WolfgangWenzel

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• Refactor queue handling and improve robustness in services

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  WolfgangWenzel

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Commits on Feb 5, 2026

• Refactor Docker runner and clean up node children resolution

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  WolfgangWenzel

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  3d7ce2a

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• Add Docker support, optimize SCF handling, and related fixes

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  WolfgangWenzel

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  dec2c42

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Commits on Feb 3, 2026

• Add new features for spectral analysis, logging, and hashing

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  WolfgangWenzel

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  3d55586

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Commits on Jan 30, 2026

• Cast paths in `python_paths` to `str` during SLURM submission setup.

  WolfgangWenzel

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  6148c33

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Commits on Jan 29, 2026

• Merge branch 'main' into polymorphic

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  WolfgangWenzel

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Commits on Jan 27, 2026

• Ensure `project_root` is passed as a string in `node_execution_service`.

  WolfgangWenzel

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  df21d3c

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• Refactor SMILES conversion and node execution logic

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  WolfgangWenzel

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• Refactor SMILES conversion and node execution logic

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  WolfgangWenzel

  committed
  6708b18

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• Refactor molecule conversion and iterative optimization logic

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  WolfgangWenzel

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  6966a27

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Commits on Jan 26, 2026

• Refactor SLURM job parsing logic in `runner_utils`

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  WolfgangWenzel

  committed
  12aa84b

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• Implement SLURM info cleanup in `SlurmStatusService`

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  WolfgangWenzel

  committed
  aaec53b

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• Add core services framework and implement `RunnerManager`

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  WolfgangWenzel

  committed
  1cf7fdd

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• Refactor resource and queue parameterization for tasks.

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  WolfgangWenzel

  committed
  fc8d34c

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Commits on Jan 25, 2026

• Update SCF logic, parameters, and vibrational analysis

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  WolfgangWenzel

  committed
  9f0d1df

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