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aishikaranjan
Is there an existing issue for this?
Feature Description
The main goal is to implement a Graph Neural Network (GNN) for predicting molecular properties by utilizing r-radius subgraphs for enhanced molecular representation.
Use Case
It can be used to predict drug efficacy and photovoltaic efficiency, aiding in drug discovery and material science research by leveraging molecular fingerprint representations.
Benefits
No response
Add ScreenShots
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Priority
High
Record