Index

C

check_execs() (deeprank_gnn.ResidueGraph.ResidueGraph method)

compute_class_weights() (deeprank_gnn.NeuralNet.NeuralNet method)

D

deeprank_gnn.foutnet module deeprank_gnn.ginet module deeprank_gnn.Graph module

deeprank_gnn.GraphGenMP module deeprank_gnn.NeuralNet module deeprank_gnn.ResidueGraph module

E

eval() (deeprank_gnn.NeuralNet.NeuralNet method)

F

format_output() (deeprank_gnn.NeuralNet.NeuralNet method) forward() (deeprank_gnn.foutnet.FoutLayer method) (deeprank_gnn.foutnet.FoutNet method) (deeprank_gnn.ginet.GINet method) (deeprank_gnn.ginet.GINetConvLayer method)

FoutLayer (class in deeprank_gnn.foutnet) FoutNet (class in deeprank_gnn.foutnet)

G

get_all_graphs() (deeprank_gnn.GraphGenMP.GraphHDF5 method) get_edge_features() (deeprank_gnn.ResidueGraph.ResidueGraph method) get_graph() (deeprank_gnn.ResidueGraph.ResidueGraph method) get_internal_edges() (deeprank_gnn.ResidueGraph.ResidueGraph method) get_metrics() (deeprank_gnn.NeuralNet.NeuralNet method)

get_node_features() (deeprank_gnn.ResidueGraph.ResidueGraph method) get_score() (deeprank_gnn.Graph.Graph method) GINet (class in deeprank_gnn.ginet) GINetConvLayer (class in deeprank_gnn.ginet) Graph (class in deeprank_gnn.Graph) GraphHDF5 (class in deeprank_gnn.GraphGenMP)

H

h52nx() (deeprank_gnn.Graph.Graph method)

L

load_model() (deeprank_gnn.NeuralNet.NeuralNet method)

load_params() (deeprank_gnn.NeuralNet.NeuralNet method) load_pretrained_model() (deeprank_gnn.NeuralNet.NeuralNet method)

M

module deeprank_gnn.foutnet deeprank_gnn.ginet deeprank_gnn.Graph deeprank_gnn.GraphGenMP deeprank_gnn.NeuralNet deeprank_gnn.ResidueGraph

N

NeuralNet (class in deeprank_gnn.NeuralNet)

nx2h5() (deeprank_gnn.Graph.Graph method)

O

onehot() (deeprank_gnn.ResidueGraph.ResidueGraph method)

P

plot_acc() (deeprank_gnn.NeuralNet.NeuralNet method) plot_hit_rate() (deeprank_gnn.NeuralNet.NeuralNet method) plot_loss() (deeprank_gnn.NeuralNet.NeuralNet method) plot_scatter() (deeprank_gnn.NeuralNet.NeuralNet method)

plotly_2d() (deeprank_gnn.Graph.Graph method) plotly_3d() (deeprank_gnn.Graph.Graph method) print_epoch_data() (deeprank_gnn.NeuralNet.NeuralNet static method) put_model_to_device() (deeprank_gnn.NeuralNet.NeuralNet method)

R

reset_parameters() (deeprank_gnn.foutnet.FoutLayer method) (deeprank_gnn.ginet.GINetConvLayer method)

ResidueGraph (class in deeprank_gnn.ResidueGraph)

S

save_model() (deeprank_gnn.NeuralNet.NeuralNet method)

set_loss() (deeprank_gnn.NeuralNet.NeuralNet method)

T

test() (deeprank_gnn.NeuralNet.NeuralNet method)

train() (deeprank_gnn.NeuralNet.NeuralNet method)

U

update_name() (deeprank_gnn.NeuralNet.NeuralNet static method)