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[PyTorch Geometric] Provide an example of NeuralFingerprint model usage with molecular fingerprints

Provide a concrete example demonstrating how to use the NeuralFingerprint model with SMILES or SELFIES strings to convert molecules into graphs for molecular fingerprint benchmarks.

Original Source

@@linjing-lab | 0 pts | 6/28/2025

### 🚀 The feature, motivation and pitch The paper of [#7919](https://github.com/pyg-team/pytorch_geometric/pull/7919) that convert each molecule encoded by SMILES string into a graph in experiment, but I didn't find example in examples folder, there are only [NeuralFingerprint](https://github.com/pyg-team/pytorch_geometric/blob/master/torch_geometric/nn/models/neural_fingerprint.py) model and test, and no actual cases on how to use SMILES or SELFIES to convert graphs and use graphs for molecular fingerprints. Need Developers to provide a detailed example in the examples folder, including build graph on molecules and graph machine learning. ### Alternatives I have an alternative solution, [a case](https://github.com/linjing-lab/easy-pytorch/blob/main/released_box/TP53_target.ipynb) with PubChem fingerprints and MLP approach on PyTorch, but lack build graph from SMILES and graph machine learning from sparse correlation. Code for computing neural fingerprints and producing visualizati

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