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

Model download utilities for LDMol inverse design models.

schrodinger.application.matsci.flywheel.ldmol.utils.get_model_path(chk_file)

Return the path to an available LDMol model file.

The user data directory is the persistent cache. The current working directory is also searched because remote job inputs are staged there.

Parameters:

chk_file (str) – Checkpoint filename

Return type:

str or None

Returns:

Absolute model path, or None when the model is unavailable

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