Coverage report: 49%

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coverage.py v7.14.1, created at 2026-05-29 07:47 +0000

File   statements missing excluded   coverage
biobb_pytorch/__init__.py   4 0 0   100%
biobb_pytorch/mdae/LRP.py   1 1 0   0%
biobb_pytorch/mdae/__init__.py   11 0 0   100%
biobb_pytorch/mdae/build_model.py   129 15 0   88%
biobb_pytorch/mdae/common.py   55 55 0   0%
biobb_pytorch/mdae/data/__init__.py   0 0 0   100%
biobb_pytorch/mdae/data/dataset.py   0 0 0   100%
biobb_pytorch/mdae/decode_model.py   64 2 0   97%
biobb_pytorch/mdae/encode_model.py   65 2 0   97%
biobb_pytorch/mdae/evaluate_model.py   94 16 0   83%
biobb_pytorch/mdae/explainability/LRP.py   91 10 0   89%
biobb_pytorch/mdae/explainability/__init__.py   2 0 0   100%
biobb_pytorch/mdae/explainability/layerwise_relevance_prop.py   162 103 0   36%
biobb_pytorch/mdae/explainability/sensitivity_analysis.py   7 0 0   100%
biobb_pytorch/mdae/feat2traj.py   76 22 0   71%
biobb_pytorch/mdae/featurization/__init__.py   0 0 0   100%
biobb_pytorch/mdae/featurization/featurizer.py   190 88 0   54%
biobb_pytorch/mdae/featurization/normalization.py   95 31 0   67%
biobb_pytorch/mdae/featurization/plumed_feat.py   88 88 0   0%
biobb_pytorch/mdae/featurization/topology_selector.py   105 56 0   47%
biobb_pytorch/mdae/loss/__init__.py   10 0 0   100%
biobb_pytorch/mdae/loss/autocorrelation.py   17 1 0   94%
biobb_pytorch/mdae/loss/committor_loss.py   175 154 0   12%
biobb_pytorch/mdae/loss/eigvals.py   36 14 0   61%
biobb_pytorch/mdae/loss/elbo.py   61 31 0   49%
biobb_pytorch/mdae/loss/fisher.py   27 2 0   93%
biobb_pytorch/mdae/loss/ib_loss.py   26 1 0   96%
biobb_pytorch/mdae/loss/mse.py   18 0 0   100%
biobb_pytorch/mdae/loss/physics_loss.py   36 28 0   22%
biobb_pytorch/mdae/loss/tda_loss.py   45 37 0   18%
biobb_pytorch/mdae/loss/utils/__init__.py   0 0 0   100%
biobb_pytorch/mdae/loss/utils/openmm_thread.py   315 315 0   0%
biobb_pytorch/mdae/loss/utils/torch_protein_energy.py   209 191 0   9%
biobb_pytorch/mdae/loss/utils/torch_protein_energy_utils.py   756 737 0   3%
biobb_pytorch/mdae/make_plumed.py   217 68 0   69%
biobb_pytorch/mdae/mdfeaturizer.py   106 10 0   91%
biobb_pytorch/mdae/models/__init__.py   6 0 0   100%
biobb_pytorch/mdae/models/ae.py   68 10 0   85%
biobb_pytorch/mdae/models/gmvae.py   174 128 0   26%
biobb_pytorch/mdae/models/gnnae.py   0 0 0   100%
biobb_pytorch/mdae/models/molearn.py   179 144 0   20%
biobb_pytorch/mdae/models/nn/__init__.py   0 0 0   100%
biobb_pytorch/mdae/models/nn/feedforward.py   31 5 0   84%
biobb_pytorch/mdae/models/nn/utils.py   52 32 0   38%
biobb_pytorch/mdae/models/spib.py   175 106 0   39%
biobb_pytorch/mdae/models/vae.py   77 32 0   58%
biobb_pytorch/mdae/plots.py   105 7 0   93%
biobb_pytorch/mdae/train_model.py   120 20 0   83%
biobb_pytorch/mdae/utils/__init__.py   0 0 0   100%
biobb_pytorch/mdae/utils/log_utils.py   11 4 0   64%
biobb_pytorch/mdae/utils/model_utils.py   9 0 0   100%
biobb_pytorch/test/__init__.py   0 0 0   100%
biobb_pytorch/test/unitests/test_mdae/test_all_models.py   123 4 0   97%
biobb_pytorch/test/unitests/test_mdae/test_build_model.py   45 1 0   98%
biobb_pytorch/test/unitests/test_mdae/test_common.py   0 0 0   100%
biobb_pytorch/test/unitests/test_mdae/test_decode_model.py   17 3 0   82%
biobb_pytorch/test/unitests/test_mdae/test_encode_model.py   17 3 0   82%
biobb_pytorch/test/unitests/test_mdae/test_evaluate_model.py   18 4 0   78%
biobb_pytorch/test/unitests/test_mdae/test_feat2traj.py   20 2 0   90%
biobb_pytorch/test/unitests/test_mdae/test_loss_functions.py   252 10 0   96%
biobb_pytorch/test/unitests/test_mdae/test_lrp.py   18 3 0   83%
biobb_pytorch/test/unitests/test_mdae/test_make_plumed.py   19 1 0   95%
biobb_pytorch/test/unitests/test_mdae/test_mdfeaturizer.py   23 0 0   100%
biobb_pytorch/test/unitests/test_mdae/test_plots.py   135 0 0   100%
biobb_pytorch/test/unitests/test_mdae/test_sensitivity_analysis.py   39 0 0   100%
biobb_pytorch/test/unitests/test_mdae/test_specialized_models.py   85 8 0   91%
biobb_pytorch/test/unitests/test_mdae/test_train_model.py   23 3 0   87%
Total   5134 2608 0   49%

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