schrodinger.seam.testing.stu_tests.ml_train_predict module

Test that TrainModel and PredictProperties complete without crashing.

Verifies that the matplotlib backend does not cause worker subprocess crashes when ligand_ml is imported in a Beam worker (see ml_train.py for details).

Usage:

$SCHRODINGER/run python3 -m schrodinger.seam.testing.stu_tests.ml_train_predict

schrodinger.seam.testing.stu_tests.ml_train_predict.create_structures()

Create structures with random property values for training.

schrodinger.seam.testing.stu_tests.ml_train_predict.main()