autoqsar Command Help

Command: $SCHRODINGER/utilities/autoqsar

usage: autoqsar [-h] <model>.qzip <task> ...

Automated building and testing of numeric and categorical QSAR models.

Copyright Schrodinger LLC, All Rights Reserved.

positional arguments:
  <model>.qzip  QSAR model archive. Will be created if building models; must
                already exist for all other tasks. Any leading path in <model>
                is ignored if building models and when assigning the default
                job name.
                --------------------------------------------------------------
  <task>        The task to perform. May include a leading dash, e.g.,
                "-build" instead of "build". Use -help_<task> for detailed
                help on a specific task.
    build       Build new models from a learning set of structures.
    test        Test one or more existing models on a set of structures.
    report      Summarize statistics of all models or generate a detailed
                report for a single model.
    rebuild     Display a command that could be used to rebuild the model with
                the original options.

options:
  -h, --help    Show this message and exit.

When models are successfully built or tested, the file <jobname>.okay is
created, where <jobname> is <model>_build or <model>_test. If a failure
occurs, the file <jobname>_errors.out is created with an informative message.