The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
Kevin said the failure is in the code that computes the Wasserstein distance between response value distributions in the split subsets where it is empty. A workaround will be provided.
From 1.6.2 testing, found these errors:
=================================== FAILURES ===================== FAILED test_split.py::test_splits - assert 0.31782106782106784 <= 0.313725490... FAILED test_split.py::test_pipeline_split_only - ValueError: Distribution can... FAILED test_split.py::test_pipeline_split_and_train - ValueError: Distributio... ================== 3 failed, 12 warnings in 962.65s (0:16:02) ==================
Kevin said the failure is in the code that computes the Wasserstein distance between response value distributions in the split subsets where it is empty. A workaround will be provided.