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Combinatorial Complex Score-based Diffusion model using stochastic differential equations

Home Page: https://ccsd.readthedocs.io/en/latest/

License: MIT License

Python 81.31% C++ 11.56% Shell 0.42% Jupyter Notebook 6.71%
combinatorial-complex diffusion-models graph molecule score-based-generative-modeling topological-deep-learning topology artificial-intelligence ccsd deep-learning

ccsd's Issues

running pytest error

Hi,
Thanks for your contribution, I tried to run the code but when running the pytests I got the following errors:

====================================================================== short test summary info =======================================================================
FAILED tests/utils/test_cc_utils.py::test_cc_incidence_advanced_test - assert False
FAILED tests/utils/test_cc_utils.py::test_mols_to_cc - AssertionError: assert {0: {frozense...'weight': 1}}} == {0: {frozense...'weight': 1}}}
FAILED tests/utils/test_cc_utils.py::test_CC_to_incidence_matrices - assert False
FAILED tests/utils/test_cc_utils.py::test_ccs_to_mol - KeyError: 'symbol'
FAILED tests/utils/test_cc_utils.py::test_convert_CC_to_graphs - AssertionError: assert {0: {'weight'...ght': 1}, ...} == {0: {'symbol'...ght': 1}, ...}
FAILED tests/utils/test_cc_utils.py::test_convert_graphs_to_CCs - AssertionError: assert {'weight': 1} == {'label': 'C', 'weight': 1}
FAILED tests/utils/test_cc_utils.py::test_rank0_distrib_worker - KeyError: 'label_0'
FAILED tests/utils/test_cc_utils.py::test_rank0_distrib_stats - KeyError: 'label_0'
FAILED tests/utils/test_cc_utils.py::test_eval_CC_list - KeyError: 'label_0'
=================================================================== 9 failed, 131 passed in 4.74s ====================================================================

Any hints for how to solve this?

Best,
Yamei

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