| biobb_pytorch / __init__.py |
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4 |
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0 |
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| biobb_pytorch / mdae / __init__.py |
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11 |
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| biobb_pytorch / mdae / build_model.py |
BuildModel.__init__ |
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26 |
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BuildModel._validate_props |
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7 |
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BuildModel._build_model |
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BuildModel._build_loss |
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17 |
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BuildModel._hparams_loss_repr |
|
6 |
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| biobb_pytorch / mdae / build_model.py |
BuildModel.save_weights |
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1 |
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BuildModel.load_weights |
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BuildModel.save_full |
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BuildModel.load_full |
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BuildModel.launch |
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28 |
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buildModel |
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(no function) |
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29 |
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| biobb_pytorch / mdae / common.py |
ndarray_normalization |
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1 |
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ndarray_denormalization |
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get_loss_function |
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5 |
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get_optimizer_function |
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execute_model |
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17 |
17 |
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format_time |
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7 |
7 |
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human_readable_file_size |
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8 |
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11 |
11 |
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| biobb_pytorch / mdae / decode_model.py |
EvaluateDecoder.__init__ |
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12 |
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EvaluateDecoder.load_model |
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EvaluateDecoder.load_dataset |
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EvaluateDecoder.create_dataloader |
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EvaluateDecoder.launch |
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evaluateDecoder |
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EvaluateEncoder.__init__ |
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EvaluateEncoder.load_model |
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EvaluateEncoder.load_dataset |
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EvaluateEncoder.create_dataloader |
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EvaluateEncoder.evaluate_encoder |
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EvaluateEncoder.launch |
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18 |
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evaluateEncoder |
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22 |
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| biobb_pytorch / mdae / evaluate_model.py |
EvaluateModel.__init__ |
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12 |
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EvaluateModel.load_model |
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EvaluateModel.load_dataset |
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EvaluateModel.create_dataloader |
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| biobb_pytorch / mdae / evaluate_model.py |
EvaluateModel.evaluate_full_model |
|
20 |
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| biobb_pytorch / mdae / evaluate_model.py |
EvaluateModel.evaluate_encoder |
|
7 |
7 |
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EvaluateModel.evaluate_decoder |
|
7 |
7 |
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| biobb_pytorch / mdae / evaluate_model.py |
EvaluateModel.launch |
|
18 |
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evaluateModel |
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0 |
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(no function) |
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24 |
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| biobb_pytorch / mdae / explainability / LRP.py |
LRP.__init__ |
|
15 |
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LRP.load_model |
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1 |
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LRP.mask_idx |
|
3 |
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LRP.load_dataset |
|
8 |
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| biobb_pytorch / mdae / explainability / LRP.py |
LRP.create_dataloader |
|
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0 |
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LRP.compute_global_importance |
|
16 |
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LRP.launch |
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20 |
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relevance_propagation |
|
1 |
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| biobb_pytorch / mdae / explainability / LRP.py |
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25 |
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lrp_gmvae_single |
|
65 |
65 |
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| biobb_pytorch / mdae / explainability / layerwise_relevance_prop.py |
lrp_encoder |
|
64 |
12 |
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| biobb_pytorch / mdae / explainability / layerwise_relevance_prop.py |
lrp_encoder.collect_hook |
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| biobb_pytorch / mdae / explainability / layerwise_relevance_prop.py |
_lrp_encoder_simple |
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26 |
26 |
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6 |
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| biobb_pytorch / mdae / explainability / sensitivity_analysis.py |
make_mi_scores |
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4 |
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3 |
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| biobb_pytorch / mdae / feat2traj.py |
Feat2Traj.__init__ |
|
12 |
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Feat2Traj.launch |
|
48 |
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feat2traj |
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15 |
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|
0 |
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Featurizer.__init__ |
|
6 |
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Featurizer.select_atoms |
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4 |
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Featurizer.filter_topology |
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2 |
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Featurizer._dicts_to_tuples |
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14 |
14 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.idx_distances |
|
9 |
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Featurizer.compute_distances |
|
6 |
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Featurizer.polar2cartesian |
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Featurizer.cartesian2polar |
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3 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.idx_angles |
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10 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.idx_dihedrals |
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11 |
11 |
0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.compute_dihedrals |
|
1 |
1 |
0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.compute_cartesian |
|
1 |
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0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.combine_features |
|
1 |
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0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.timelag |
|
5 |
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0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.get_n_features |
|
1 |
1 |
0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.get_n_frames |
|
1 |
1 |
0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.get_atom_info |
|
6 |
6 |
0 |
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| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.set_statistics |
|
14 |
2 |
0 |
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86% |
| biobb_pytorch / mdae / featurization / featurizer.py |
Featurizer.compute_features |
|
63 |
26 |
0 |
|
59% |
| biobb_pytorch / mdae / featurization / featurizer.py |
(no function) |
|
26 |
0 |
0 |
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100% |
| biobb_pytorch / mdae / featurization / normalization.py |
batch_reshape |
|
8 |
2 |
0 |
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75% |
| biobb_pytorch / mdae / featurization / normalization.py |
sanitize_range |
|
4 |
0 |
0 |
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| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.__init__ |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.extra_repr |
|
1 |
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0 |
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| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.set_custom |
|
7 |
4 |
0 |
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43% |
| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.set_from_stats |
|
20 |
6 |
0 |
|
70% |
| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.setup_from_datamodule |
|
6 |
2 |
0 |
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67% |
| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.forward |
|
3 |
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0 |
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| biobb_pytorch / mdae / featurization / normalization.py |
Normalization.inverse |
|
3 |
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0 |
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100% |
| biobb_pytorch / mdae / featurization / normalization.py |
test_normalization |
|
16 |
16 |
0 |
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0% |
| biobb_pytorch / mdae / featurization / normalization.py |
(no function) |
|
17 |
1 |
0 |
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94% |
| biobb_pytorch / mdae / featurization / plumed_feat.py |
FeaturesGenerator.__init__ |
|
3 |
3 |
0 |
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0% |
| biobb_pytorch / mdae / featurization / plumed_feat.py |
FeaturesGenerator.generate |
|
78 |
78 |
0 |
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| biobb_pytorch / mdae / featurization / plumed_feat.py |
(no function) |
|
7 |
7 |
0 |
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0% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.__init__ |
|
9 |
3 |
0 |
|
67% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.select |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.get_atom_pairs |
|
7 |
2 |
0 |
|
71% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.get_triplets |
|
17 |
17 |
0 |
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0% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.get_quads |
|
21 |
21 |
0 |
|
0% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.get_atom_indices |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
MDTopologySelector.topology_indexing |
|
37 |
13 |
0 |
|
65% |
| biobb_pytorch / mdae / featurization / topology_selector.py |
(no function) |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / __init__.py |
(no function) |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / autocorrelation.py |
AutocorrelationLoss.__init__ |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / autocorrelation.py |
AutocorrelationLoss.forward |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / autocorrelation.py |
autocorrelation_loss |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / autocorrelation.py |
(no function) |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / committor_loss.py |
CommittorLoss.__init__ |
|
8 |
8 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
CommittorLoss.forward |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
broadcast |
|
9 |
9 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
scatter_sum |
|
11 |
11 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
committor_loss |
|
31 |
31 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives.__init__ |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives._setup_left |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives._create_nonzero_left |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives._get_scatter_indices |
|
15 |
15 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives.forward |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives._create_right |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
SmartDerivatives._compute_square_modulus |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
compute_descriptors_derivatives |
|
19 |
19 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
test_smart_derivatives |
|
31 |
31 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / committor_loss.py |
(no function) |
|
22 |
1 |
0 |
|
95% |
| biobb_pytorch / mdae / loss / eigvals.py |
ReduceEigenvaluesLoss.__init__ |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / eigvals.py |
ReduceEigenvaluesLoss.forward |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / eigvals.py |
reduce_eigenvalues_loss |
|
25 |
9 |
0 |
|
64% |
| biobb_pytorch / mdae / loss / eigvals.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOGaussiansLoss.forward |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / elbo.py |
elbo_gaussians_loss |
|
9 |
1 |
0 |
|
89% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOLoss.__init__ |
|
8 |
8 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOLoss.forward |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOGaussianMixtureLoss.__init__ |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOGaussianMixtureLoss.log_normal |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / elbo.py |
ELBOGaussianMixtureLoss.forward |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / elbo.py |
(no function) |
|
18 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / fisher.py |
FisherDiscriminantLoss.__init__ |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / fisher.py |
FisherDiscriminantLoss.forward |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / fisher.py |
fisher_discriminant_loss |
|
11 |
1 |
0 |
|
91% |
| biobb_pytorch / mdae / loss / fisher.py |
(no function) |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / ib_loss.py |
InformationBottleneckLoss.__init__ |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / ib_loss.py |
InformationBottleneckLoss.log_p |
|
8 |
1 |
0 |
|
88% |
| biobb_pytorch / mdae / loss / ib_loss.py |
InformationBottleneckLoss.forward |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / ib_loss.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / mse.py |
MSELoss.forward |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / mse.py |
mse_loss |
|
11 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / mse.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / physics_loss.py |
PhysicsLoss.__init__ |
|
12 |
12 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / physics_loss.py |
PhysicsLoss.mse_loss |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / physics_loss.py |
PhysicsLoss.total_physics_loss |
|
9 |
9 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / physics_loss.py |
PhysicsLoss.forward |
|
6 |
6 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / physics_loss.py |
(no function) |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / tda_loss.py |
TDALoss.__init__ |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / tda_loss.py |
TDALoss.forward |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / tda_loss.py |
tda_loss |
|
26 |
26 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / tda_loss.py |
(no function) |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / utils / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
ModifiedForceField.__init__ |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
ModifiedForceField._getResidueTemplateMatches |
|
46 |
46 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmPluginScore.__init__ |
|
44 |
44 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmPluginScore.ignore_hydrogen |
|
21 |
21 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmPluginScore.atomselect |
|
23 |
23 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmPluginScore.get_energy |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmPluginScore.execute |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenmmTorchEnergyMinimizer.minimize |
|
16 |
16 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
OpenMMPluginScoreSoftForceField.__init__ |
|
18 |
18 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy_function.forward |
|
14 |
14 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy_function.backward |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_clamped_energy_function.forward |
|
15 |
15 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_clamped_energy_function.backward |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy.__init__ |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy._forward |
|
3 |
3 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy._clamp_forward |
|
3 |
3 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy_setup.__init__ |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy_setup.get_atominfo |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
openmm_energy_setup.mol_dataframe |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
MolDataFrame.data |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
MolDataFrame._constructor |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
MolDataFrame.from_trajectory |
|
19 |
19 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
MolDataFrame.from_trajectory.idx_to_letters |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
MolDataFrame.write_pdb |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / openmm_thread.py |
(no function) |
|
52 |
52 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy.__init__ |
|
9 |
9 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy.get_energy |
|
3 |
3 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._roll_init |
|
55 |
55 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._convolutional_init |
|
18 |
18 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._padded_indexed_init |
|
19 |
19 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._bonded_convolutional_loss |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._bonded_roll_loss |
|
3 |
3 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._bonded_padded_residues_loss |
|
18 |
18 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._cdist_nb_full |
|
6 |
6 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._cdist_nb |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._warp_domain |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._conv_bond_loss |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._conv_angle_loss |
|
9 |
9 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._conv_torsion_loss |
|
11 |
11 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
TorchProteinEnergy._roll_bond_angle_torsion_loss |
|
25 |
25 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy.py |
(no function) |
|
18 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
read_lib_file |
|
60 |
60 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
get_amber_parameters |
|
80 |
80 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_2 |
|
14 |
14 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_3 |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_4 |
|
14 |
14 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_5 |
|
16 |
16 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_6 |
|
29 |
29 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_7 |
|
18 |
18 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_8 |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_9 |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
amber_card_type_10B |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
get_convolutions |
|
345 |
345 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
get_conv_pad_res |
|
138 |
138 |
0 |
|
0% |
| biobb_pytorch / mdae / loss / utils / torch_protein_energy_utils.py |
(no function) |
|
21 |
2 |
0 |
|
90% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed.__init__ |
|
26 |
1 |
0 |
|
96% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._load_stats |
|
3 |
1 |
0 |
|
67% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._generate_features |
|
3 |
1 |
0 |
|
67% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._generate_features_from_stats |
|
40 |
14 |
0 |
|
65% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._generate_features_from_stats.adjust_indices |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._convert_model_to_ptc |
|
16 |
2 |
0 |
|
88% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._convert_model_to_ptc.convert_attributes_to_int |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._enable_jit_scripting |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed._build_plumed_lines |
|
73 |
47 |
0 |
|
36% |
| biobb_pytorch / mdae / make_plumed.py |
GeneratePlumed.launch |
|
21 |
1 |
0 |
|
95% |
| biobb_pytorch / mdae / make_plumed.py |
generatePlumed |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / make_plumed.py |
(no function) |
|
22 |
1 |
0 |
|
95% |
| biobb_pytorch / mdae / mdfeaturizer.py |
MDFeaturePipeline.__init__ |
|
21 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / mdfeaturizer.py |
MDFeaturePipeline.topology_indices |
|
20 |
2 |
0 |
|
90% |
| biobb_pytorch / mdae / mdfeaturizer.py |
MDFeaturePipeline.featurize_trajectory |
|
28 |
6 |
0 |
|
79% |
| biobb_pytorch / mdae / mdfeaturizer.py |
MDFeaturePipeline.launch |
|
13 |
1 |
0 |
|
92% |
| biobb_pytorch / mdae / mdfeaturizer.py |
MDFeaturizer |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / mdfeaturizer.py |
(no function) |
|
23 |
1 |
0 |
|
96% |
| biobb_pytorch / mdae / models / __init__.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.__init__ |
|
13 |
1 |
0 |
|
92% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.forward_cv |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.decode |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.encode_decode |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.evaluate_model |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.training_step |
|
12 |
2 |
0 |
|
83% |
| biobb_pytorch / mdae / models / ae.py |
AutoEncoder.get_decoder |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / models / ae.py |
(no function) |
|
17 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.__init__ |
|
25 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.log_normal |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.loss_function |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.encode_decode |
|
35 |
35 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.evaluate_model |
|
41 |
41 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.decode |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.forward_cv |
|
21 |
21 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.training_step |
|
12 |
12 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
GaussianMixtureVariationalAutoEncoder.get_decoder |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / models / gmvae.py |
(no function) |
|
21 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / gnnae.py |
(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / molearn.py |
index_points |
|
9 |
9 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
knn |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
GraphLayer.__init__ |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
GraphLayer.forward |
|
5 |
5 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Encoder.__init__ |
|
13 |
13 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Encoder.forward |
|
16 |
16 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
FoldingLayer.__init__ |
|
11 |
11 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
FoldingLayer.forward |
|
3 |
3 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Decoder_Layer.__init__ |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Decoder_Layer.forward |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Decoder.__init__ |
|
8 |
8 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
Decoder.forward |
|
6 |
6 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.__init__ |
|
18 |
18 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.decode |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.encode_decode |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.forward_cv |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.training_step |
|
17 |
17 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.decode_interpolation |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
CNNAutoEncoder.example_input_array |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / models / molearn.py |
(no function) |
|
35 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / nn / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / nn / feedforward.py |
FeedForward.__init__ |
|
22 |
5 |
0 |
|
77% |
| biobb_pytorch / mdae / models / nn / feedforward.py |
FeedForward.forward |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / nn / feedforward.py |
(no function) |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / nn / utils.py |
Shifted_Softplus.__init__ |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / mdae / models / nn / utils.py |
Shifted_Softplus.forward |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / models / nn / utils.py |
Custom_Sigmoid.__init__ |
|
2 |
2 |
0 |
|
0% |
| biobb_pytorch / mdae / models / nn / utils.py |
Custom_Sigmoid.forward |
|
1 |
1 |
0 |
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0% |
| biobb_pytorch / mdae / models / nn / utils.py |
get_activation |
|
21 |
21 |
0 |
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0% |
| biobb_pytorch / mdae / models / nn / utils.py |
parse_nn_options |
|
14 |
5 |
0 |
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64% |
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(no function) |
|
11 |
0 |
0 |
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100% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.__init__ |
|
28 |
0 |
0 |
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100% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.encode |
|
4 |
0 |
0 |
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100% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.decode |
|
1 |
1 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.forward_cv |
|
5 |
1 |
0 |
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80% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.reparameterize |
|
2 |
0 |
0 |
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100% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.encode_decode |
|
9 |
9 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.evaluate_model |
|
4 |
4 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.configure_optimizers |
|
3 |
3 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.update_labels |
|
13 |
13 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.get_representative_z |
|
1 |
1 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.reset_representative |
|
5 |
5 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.training_step |
|
11 |
11 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.on_train_epoch_start |
|
4 |
4 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.on_train_epoch_end |
|
26 |
26 |
0 |
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0% |
| biobb_pytorch / mdae / models / spib.py |
SPIB.estimate_representative_inputs |
|
28 |
28 |
0 |
|
0% |
| biobb_pytorch / mdae / models / spib.py |
(no function) |
|
31 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.__init__ |
|
17 |
1 |
0 |
|
94% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.forward_cv |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.encode_decode |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.evaluate_model |
|
10 |
10 |
0 |
|
0% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.training_step |
|
14 |
14 |
0 |
|
0% |
| biobb_pytorch / mdae / models / vae.py |
VariationalAutoEncoder.get_decoder |
|
7 |
7 |
0 |
|
0% |
| biobb_pytorch / mdae / models / vae.py |
(no function) |
|
17 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / plots.py |
plot_loss |
|
16 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / plots.py |
plot_rmsd |
|
17 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / plots.py |
plot_rmsf |
|
17 |
2 |
0 |
|
88% |
| biobb_pytorch / mdae / plots.py |
plot_rmsf_difference |
|
21 |
3 |
0 |
|
86% |
| biobb_pytorch / mdae / plots.py |
plot_latent_space |
|
24 |
2 |
0 |
|
92% |
| biobb_pytorch / mdae / plots.py |
(no function) |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.__init__ |
|
17 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.get_callbacks |
|
12 |
7 |
0 |
|
42% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.get_logger |
|
8 |
5 |
0 |
|
38% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.get_profiler |
|
8 |
5 |
0 |
|
38% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.get_trainer |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.load_model |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.load_dataset |
|
2 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.create_datamodule |
|
5 |
1 |
0 |
|
80% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.fit_model |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.save_full |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
TrainModel.launch |
|
26 |
1 |
0 |
|
96% |
| biobb_pytorch / mdae / train_model.py |
trainModel |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / train_model.py |
(no function) |
|
33 |
1 |
0 |
|
97% |
| biobb_pytorch / mdae / utils / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / utils / log_utils.py |
get_size |
|
9 |
4 |
0 |
|
56% |
| biobb_pytorch / mdae / utils / log_utils.py |
(no function) |
|
2 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / utils / model_utils.py |
assert_valid_kwargs |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / mdae / utils / model_utils.py |
(no function) |
|
2 |
0 |
0 |
|
100% |
| biobb_pytorch / test / __init__.py |
(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_build_all_model_types |
|
18 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_model_forward_pass |
|
19 |
4 |
0 |
|
79% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_custom_layer_configurations |
|
12 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_model_with_custom_loss |
|
13 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_model_state_dict_compatibility |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_different_latent_dimensions |
|
12 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
TestAllModels.test_vae_encode_decode |
|
16 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_all_models.py |
(no function) |
|
21 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_build_model |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_build_model_with_custom_loss |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_build_model_no_output |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_assert_valid_kwargs |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_assert_valid_kwargs.DummyClass.__init__ |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
TestBuildModel.test_load_full |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_build_model.py |
(no function) |
|
15 |
0 |
0 |
|
100% |
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(no function) |
|
0 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_decode_model.py |
TestDecodeModel.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_decode_model.py |
TestDecodeModel.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_decode_model.py |
TestDecodeModel.test_decode_model |
|
8 |
3 |
0 |
|
62% |
| biobb_pytorch / test / unitests / test_mdae / test_decode_model.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_encode_model.py |
TestEncodeModel.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_encode_model.py |
TestEncodeModel.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_encode_model.py |
TestEncodeModel.test_encode_model |
|
8 |
3 |
0 |
|
62% |
| biobb_pytorch / test / unitests / test_mdae / test_encode_model.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_evaluate_model.py |
TestEvaluateModel.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_evaluate_model.py |
TestEvaluateModel.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_evaluate_model.py |
TestEvaluateModel.test_evaluate_model |
|
9 |
4 |
0 |
|
56% |
| biobb_pytorch / test / unitests / test_mdae / test_evaluate_model.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_feat2traj.py |
TestFeat2Traj.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_feat2traj.py |
TestFeat2Traj.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_feat2traj.py |
TestFeat2Traj.test_feat2traj |
|
11 |
2 |
0 |
|
82% |
| biobb_pytorch / test / unitests / test_mdae / test_feat2traj.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestMSELoss.test_mse_loss_basic |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestMSELoss.test_mse_loss_with_weights |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestMSELoss.test_mse_loss_module |
|
6 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestMSELoss.test_mse_loss_1d_input |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestELBOLosses.test_elbo_gaussians_loss_basic |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestELBOLosses.test_elbo_gaussians_loss_module |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestELBOLosses.test_elbo_with_weights |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestELBOLosses.test_elbo_gaussian_mixture_loss |
|
16 |
1 |
0 |
|
94% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestInformationBottleneckLoss.test_ib_loss_initialization |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestInformationBottleneckLoss.test_ib_loss_forward |
|
18 |
2 |
0 |
|
89% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestInformationBottleneckLoss.test_ib_log_p_method |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestReduceEigenvaluesLoss.test_reduce_eigenvalues_modes |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestReduceEigenvaluesLoss.test_reduce_eigenvalues_sum |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestReduceEigenvaluesLoss.test_reduce_eigenvalues_sum2 |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestAutocorrelationLoss.test_autocorrelation_loss_initialization |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestAutocorrelationLoss.test_autocorrelation_loss_forward |
|
9 |
2 |
0 |
|
78% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestFisherDiscriminantLoss.test_fisher_loss_initialization |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestFisherDiscriminantLoss.test_fisher_loss_forward |
|
9 |
2 |
0 |
|
78% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestTDALoss.test_tda_loss_initialization |
|
5 |
1 |
0 |
|
80% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestTDALoss.test_tda_loss_forward |
|
7 |
1 |
0 |
|
86% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestPhysicsLoss.test_physics_loss_initialization |
|
5 |
1 |
0 |
|
80% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestCommittorLoss.test_committor_loss_initialization |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionIntegration.test_loss_gradients |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionIntegration.test_elbo_gradients |
|
11 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionIntegration.test_loss_deterministic |
|
10 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionIntegration.test_loss_batch_invariance |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionEdgeCases.test_mse_zero_loss |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionEdgeCases.test_mse_negative_not_possible |
|
4 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionEdgeCases.test_loss_with_nan_input |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
TestLossFunctionEdgeCases.test_loss_with_inf_input |
|
5 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_loss_functions.py |
(no function) |
|
46 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_lrp.py |
TestLRP.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_lrp.py |
TestLRP.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_lrp.py |
TestLRP.test_lrp |
|
9 |
3 |
0 |
|
67% |
| biobb_pytorch / test / unitests / test_mdae / test_lrp.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_make_plumed.py |
TestMakePlumed.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_make_plumed.py |
TestMakePlumed.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_make_plumed.py |
TestMakePlumed.test_generatePlumed |
|
10 |
1 |
0 |
|
90% |
| biobb_pytorch / test / unitests / test_mdae / test_make_plumed.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_mdfeaturizer.py |
TestMDFeaturizer.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_mdfeaturizer.py |
TestMDFeaturizer.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_mdfeaturizer.py |
TestMDFeaturizer.test_MDFeaturizer |
|
14 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_mdfeaturizer.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.teardown_method |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_loss_with_validation |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_loss_without_validation |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsd_single_file |
|
11 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsd_multiple_files |
|
13 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsd_nonexistent_file |
|
3 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsf_single_file |
|
11 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsf_multiple_files |
|
13 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_rmsf_difference |
|
13 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_latent_space_basic |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_latent_space_custom_dims |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_latent_space_missing_z |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
TestPlots.test_plot_latent_space_invalid_projection_dim |
|
8 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_plots.py |
(no function) |
|
22 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_sensitivity_analysis.py |
TestSensitivityAnalysis.test_make_mi_scores_basic |
|
12 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_sensitivity_analysis.py |
TestSensitivityAnalysis.test_make_mi_scores_discrete |
|
11 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_sensitivity_analysis.py |
TestSensitivityAnalysis.test_make_mi_scores_column_names |
|
9 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_sensitivity_analysis.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestGMVAE.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestGMVAE.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestGMVAE.test_build_gmvae_with_proper_config |
|
19 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestSPIB.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestSPIB.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestSPIB.test_build_spib_with_proper_config |
|
17 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestSPIB.test_spib_forward_pass |
|
18 |
2 |
0 |
|
89% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestCNNAutoEncoder.setup_class |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestCNNAutoEncoder.teardown_class |
|
1 |
1 |
0 |
|
0% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
TestCNNAutoEncoder.test_build_cnn_autoencoder |
|
4 |
4 |
0 |
|
0% |
| biobb_pytorch / test / unitests / test_mdae / test_specialized_models.py |
(no function) |
|
21 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_train_model.py |
TestTrainModel.setup_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_train_model.py |
TestTrainModel.teardown_class |
|
1 |
0 |
0 |
|
100% |
| biobb_pytorch / test / unitests / test_mdae / test_train_model.py |
TestTrainModel.test_trainModel |
|
13 |
3 |
0 |
|
77% |
| biobb_pytorch / test / unitests / test_mdae / test_train_model.py |
(no function) |
|
8 |
0 |
0 |
|
100% |