Rupan

Soluble

Nov 01, 20261 min read

Soluble is a solubility predictor. It Uses a Graph Neural Network (GNN) to treat molecules as graph structures and predict solubility.

Input: A SMILES String
Output: Log(S) Solubility in Water

Languages & Tools

  • Python
  • RDKit
  • PyTorch
  • Graph Neural Network (GNN)

Github

Website


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