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gat-logmodel
Hameed0342j/gat-logmodel
gat-logmodel is a machine learning model from Hameed0342j. Use it for the machine learning task on the model card, and read the license before you ship it in a product.
--- license: mit language: - en metrics: - codeeval pipelinetag: graph-ml tags: - code - machinelearning - pytorch - gat
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At a glance
- Model type
- GAT
- Access
- Public
- Created
- Mar 18, 2025
- Updated
- Mar 18, 2025
- SHA
- 7e929597
Model card
From the Hugging Face model README
license: mit language:
- en metrics:
- code_eval pipeline_tag: graph-ml tags:
- code
- machine_learning
- pytorch
- gat
GAT Molecular logP Predictor
A Graph Attention Network (GAT) model for predicting octanol/water partition coefficients (logP) of small molecules.
Model Details
Model Description
- Architecture: Graph Attention Network (GATv2)
- Input: Molecular graph (atoms as nodes, bonds as edges)
- Output: Predicted logP value (regression)
- Purpose: Predict hydrophobicity of organic compounds
Key Features:
- Processes molecules directly as graphs
- Uses atom and bond features for accurate predictions
- Suitable for drug discovery applications
How to Use
Installation
pip install torch torch-geometric rdkit-pypi
- Type
- GAT
- Created
- Mar 18, 2025
- Updated
- Mar 18, 2025