0.1.3

What's Changed

• Cleanup by @NicoRenaud in #1
• Update ResidueGraph.py by @manonreau in #2
• Update foutnet.py by @manonreau in #3
• add conditions to cluster section of load_one_graph by @manonreau in #5
• Update NeuralNet.py by @manonreau in #4
• Manon by @manonreau in #6
• add loss/epoch and acc/epoch plots by @manonreau in #7
• debug NeuralNet.py and DataSet.py by @manonreau in #8
• Fix example by @NicoRenaud in #10
• add metrics.py by @manonreau in #11
• Setup ci by @NicoRenaud in #14
• Add a Codacy badge to README.md by @codacy-badger in #15
• Plot and metrics by @manonreau in #13
• fix memory leaks by @manonreau in #16
• Test loading by @NicoRenaud in #17
• add export options by @manonreau in #18
• Update NeuralNet.py by @manonreau in #19
• wrap fname update in a function by @manonreau in #20
• onehot encoding for residue type and polarity by @manonreau in #21
• Update GraphGen.py by @manonreau in #22
• Egat by @manonreau in #24
• fix test and pretrained model loading by @manonreau in #23
• fix classification tasks by @manonreau in #25
• add regression metrics by @manonreau in #27
• Update Graph.py by @manonreau in #31
• Update DataSet.py by @manonreau in #30
• add docstrings to metrics.py and NeuralNet.py by @manonreau in #29
• Fix install by @NicoRenaud in #34
• adapt the code to multi-class classification mode by @manonreau in #33
• add doc by @manonreau in #35
• Update neuralnet indent by @manonreau in #38
• Setup doc by @NicoRenaud in #39
• update documentation by @manonreau in #40
• update pssm requirements + add_target function by @manonreau in #41
• update zone requirement by @manonreau in #44
• automate_task by @manonreau in #43
• corrected bugs by @manonreau in #45
• Correct bugs by @manonreau in #46
• Update overview.rst by @amjjbonvin in #47
• Update tutorial.generate_graph.rst by @amjjbonvin in #48
• Fix install by @NicoRenaud in #51
• update NeuralNet for gpu use by @manonreau in #52
• set biopython features as optional by @manonreau in #53
• Update GraphGenMP.py by @manonreau in #54
• Update hdf5 opening by @manonreau in #57
• add the number of edge feature as a standard argument for all input GNNs by @manonreau in #56
• correct clustering bug by @manonreau in #59
• update classification output format by @manonreau in #60
• fix small typo by @NicoRenaud in #61
• Improve coverage by @NicoRenaud in #62
• Packaging 1.3 by @NicoRenaud in #63

New Contributors

• @NicoRenaud made their first contribution in #1
• @manonreau made their first contribution in #2
• @codacy-badger made their first contribution in #15
• @amjjbonvin made their first contribution in #47

Full Changelog: https://github.com/DeepRank/Deeprank-GNN/commits/1.3.0