schrodinger.application.matsci.flywheel.ldmol.utils module

Model download utilities for LDMol inverse design models.

exception schrodinger.application.matsci.flywheel.ldmol.utils.GeneratorError

Bases: Exception

Raised when molecule generation or model loading fails.

exception schrodinger.application.matsci.flywheel.ldmol.utils.FlywheelError

Bases: Exception

Raised when the alignment or Bayesian optimization process fails.

schrodinger.application.matsci.flywheel.ldmol.utils.download_model(chk_file, logger=None)

Download LDMol models if not already present.

Parameters:

  • chk_file (str) – Checkpoint filename to verify

  • logger – Logger instance for debug output

Return type:

bool

Returns:

True if models exist or download succeeds