lmotte/graph-prediction-with-fused-gromov-wasserstein

Python implementation of the supervised graph prediction method proposed in http://arxiv.org/abs/2202.03813 using PyTorch library and POT library (Python Optimal Transport).

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This is a Python tool for supervised learning on graphs. It takes in existing labeled graphs (e.g., molecular structures with features) and a target value (e.g., a chemical property) to learn a mapping that can predict new graphs based on new input values. It's designed for researchers or data scientists working with complex, interconnected data where traditional methods struggle with graph comparisons.

No commits in the last 6 months.

Use this if you need to predict entire graph structures, complete with node connections and features, from simple input values, especially when your graphs can vary in size and complexity.

Not ideal if your problem involves simple classification or regression on fixed-size graph properties, rather than predicting the graph structure itself.

graph-modeling molecular-design materials-science bioinformatics network-analysis
Stale 6m No Package No Dependents
Maintenance 0 / 25
Adoption 6 / 25
Maturity 16 / 25
Community 9 / 25

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Stars

16

Forks

2

Language

Python

License

MIT

Last pushed

Feb 25, 2022

Commits (30d)

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