oracle unittests are failing

[amva13]

w/o question oracles are wrong as per other tickets but note oracle unittests are failing now as well. must investigate. likely related to security vulnerability identified =========================== short test summary info ============================ FAILED tdc/test/test_oracles.py::TestOracle::test_gsk3b - assert 0.03 < 0.0001

• where 0.03 = abs((0.0 - 0.03)) FAILED tdc/test/test_oracles.py::TestOracle::test_jnk3 - ValueError: node array from the pickle has an incompatible dtype:
  • expected: {'names': ['left_child', 'right_child', 'feature', 'threshold', 'impurity', 'n_node_samples', 'weighted_n_node_samples', 'missing_go_to_left'], 'formats': ['<i8', '<i8', '<i8', '<f8', '<f8', '<i8', '<f8', 'u1'], 'offsets': [0, 8, 16, 24, 32, 40, 48, 56], 'itemsize': 64}
  • got : [('left_child', '<i8'), ('right_child', '<i8'), ('feature', '<i8'), ('threshold', '<f8'), ('impurity', '<f8'), ('n_node_samples', '<i8'), ('weighted_n_node_samples', '<f8')] FAILED tdc/test/test_oracles.py::TestOracle::test_list_multi - ValueError: node array from the pickle has an incompatible dtype:
  • expected: {'names': ['left_child', 'right_child', 'feature', 'threshold', 'impurity', 'n_node_samples', 'weighted_n_node_samples', 'missing_go_to_left'], 'formats': ['<i8', '<i8', '<i8', '<f8', '<f8', '<i8', '<f8', 'u1'], 'offsets': [0, 8, 16, 24, 32, 40, 48, 56], 'itemsize': 64}
  • got : [('left_child', '<i8'), ('right_child', '<i8'), ('feature', '<i8'), ('threshold', '<f8'), ('impurity', '<f8'), ('n_node_samples', '<i8'), ('weighted_n_node_samples', '<f8')] FAILED tdc/test/test_oracles.py::TestOracle::test_list_single - ValueError: node array from the pickle has an incompatible dtype:
  • expected: {'names': ['left_child', 'right_child', 'feature', 'threshold', 'impurity', 'n_node_samples', 'weighted_n_node_samples', 'missing_go_to_left'], 'formats': ['<i8', '<i8', '<i8', '<f8', '<f8', '<i8', '<f8', 'u1'], 'offsets': [0, 8, 16, 24, 32, 40, 48, 56], 'itemsize': 64}
  • got : [('left_child', '<i8'), ('right_child', '<i8'), ('feature', '<i8'), ('threshold', '<f8'), ('impurity', '<f8'), ('n_node_samples', '<i8'), ('weighted_n_node_samples', '<f8')] ====== 4 failed, 13 passed, 2 skipped, 17773 warnings in 97.99s (0:01:37) ======

---- incl security email below ----

ntlk unsafe deserialization vulnerability

  mims-harvard/TDC

examples/generation/docking_generation/guacamol_tdc/guacamol_baselines/dockers/requirements.txt
examples/generation/docking_generation/guacamol_tdc/guacamol_baselines/requirements.txt

[amva13]

insight: fails on circle but not on conda; indicating problem might be at environment level. will proceed to cross validate requirements.