schrodinger.seam.testing.stu_tests.alpareto_integration module¶

Integration tests for active learning with Pareto selection.

These tests require ligand_ml (Smasher) and exercise the full ParetoActiveLearning pipeline.

Usage:

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

schrodinger.seam.testing.stu_tests.alpareto_integration.test_full_pipeline(structures, tmp_path)¶

Run a full AL pipeline with real Smasher training.

Uses train_time_hr=0.001 for fast execution (~30-60s).