deeprank-gnn
stable
DeepRank-GNN:
Overview
Motivations
Installation
Tutorial:
Creating Graphs
Training a module
In short
Advanced
API
Graph and Graph Generator
Graph Network
Neural Network Training Evaluation and Test
deeprank-gnn
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Welcome to DeepRank-GNN’s documentation!
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Welcome to DeepRank-GNN’s documentation!
DeepRank-GNN:
Overview
1) Graph generation
2) Model Training
Motivations
Installation
Via Python Package
Via GitHub
Tutorial:
Creating Graphs
Generate your graphs
Add your target values
Docking benchmark mode
Training a module
1. Select node and edge features
2. Select the target (benchmarking mode)
3. Select hyperparameters
4. Load the network
5. Train the model
6. Analysis
7. Save the model/network
8. Test the model on an external dataset
In short
Advanced
Design your own GNN layer
Design your own neural network architecture
Use your GNN architecture in Deeprank-GNN
API
Graph and Graph Generator
Graphs
Residue Graphs
Graph Generator
Parrallel Graph Generator
Graph Network
GINet layer
Fout Net layer
sGraphAttention (sGAT) layer
WGAT Conv layer
Neural Network Training Evaluation and Test
Neural Network
Indices and tables
Index
Module Index
Search Page
Read the Docs
v: stable
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