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- The environment exposes tools for interpreting and simulating mass spectrometry, IR, and NMR data, as well as structure-validation utilities.
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- IR simulation uses the code in [cheminfo-py/xtbservice](https://github.com/cheminfo-py/xtbservice); deploy that service yourself if the public API is unavailable.
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- Each task gets an isolated work directory under `CORRAL_WORK_DIR` if that environment variable is set.
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- Levels provide different benchmark collections, while subtask mode exposes chained decomposition tasks rather than the main task set.
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