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Create link prediction GNN model #8

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JDRomano2 opened this issue Jun 1, 2021 · 0 comments
Open

Create link prediction GNN model #8

JDRomano2 opened this issue Jun 1, 2021 · 0 comments
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enhancement New feature or request

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@JDRomano2
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Users should be able to run the following sample code to build a simple link prediction task on a subgraph containing chemicals, diseases, and genes:

from comptox_ai.ml.nn import NeuralNetwork

nn = NeuralNetwork(model='link-prediction')

# Load the data by calling the new routines you added to comptox_ai.db.graph_db
nn.load_data(node_types=['Chemical', 'Gene', 'Disease'])

# Train the model
nn.fit()

# Return predicted links
nn.predict()
@JDRomano2 JDRomano2 added the enhancement New feature or request label Jun 1, 2021
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