Releases · DeepRank/Deeprank-GNN

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